7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid

C29H37NO7 — CID 15237280

IUPAC7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESCCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2
InChIInChI=1S/C29H37NO7/c1-4-6-20-23(12-9-19-10-13-25(29(32)33)37-26(19)20)35-15-5-16-36-24-14-11-21(28(31)30-2)27(34-3)22(24)17-18-7-8-18/h9,11-12,14,18,25H,4-8,10,13,15-17H2,1-3H3,(H,30,31)(H,32,33)
InChIKeySSLKTPMFZMERSJ-UHFFFAOYSA-N
MW511.62 g/mol
LogP4.59
Rot. Bonds13

About 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid

7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid (PubChem CID 15237280) has the molecular formula C29H37NO7 and a molecular weight of 511.62 g/mol. Its IUPAC name is 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid.

Molecular Properties

Compound Name7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
PubChem CID15237280
Molecular FormulaC29H37NO7
Molecular Weight511.62 g/mol
Exact Mass511.26
IUPAC Name7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESCCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2
InChIInChI=1S/C29H37NO7/c1-4-6-20-23(12-9-19-10-13-25(29(32)33)37-26(19)20)35-15-5-16-36-24-14-11-21(28(31)30-2)27(34-3)22(24)17-18-7-8-18/h9,11-12,14,18,25H,4-8,10,13,15-17H2,1-3H3,(H,30,31)(H,32,33)
InChIKeySSLKTPMFZMERSJ-UHFFFAOYSA-N
XLogP4.59
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.62
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

SC 53228
CID 204058
7-(3-(2-(cyclopropylmethyl)-3-methoxy-4-((methylamino)carbonyl)phenoxy)propoxy)-3,4-dihydro-8-propyl-2H-1-benzopyran-2-propanoic acid
CID 196905
(S)-(4-Isopropyl-phenyl)-(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-benzo[d]isoxazol-6-yloxy)-acetic acid
CID 6540257
N-ethyl-2,6-dihydroxy-5-[(4-methoxyphenyl)methyl]-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 24768285
7-[3-(3-Methoxy-4-methylcarbamoyl-2-propyl-phenoxy)-propoxy]-8-propyl-chroman-2-carboxylic acid
CID 15817161
7-[3-(4-Dimethylcarbamoyl-3-methoxy-2-propyl-phenoxy)-propoxy]-8-propyl-chroman-2-carboxylic acid
CID 44379453
7-[3-(4-Isopropylcarbamoyl-3-methoxy-2-propyl-phenoxy)-propoxy]-8-propyl-chroman-2-carboxylic acid
CID 44379678
7-[3-[3-methoxy-2-propyl-4-(pyrrolidine-1-carbonyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 44379679
3-{(R)-7-[3-(2-Cyclopropylmethyl-3-methoxy-4-methylcarbamoyl-phenoxy)-propoxy]-8-propyl-chroman-2-yl}-propionic acid
CID 9958915
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8016382
7-[3-(4-Carbamoyl-3-methoxy-2-propyl-phenoxy)-propoxy]-8-propyl-chroman-2-carboxylic acid
CID 9805394
Propyl 4-[8-(diethylaminomethyl)-7-hydroxy-4-oxochromen-3-yl]oxybenzoate
CID 5622157

Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid?
The IUPAC name of 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid (CID 15237280) is 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid.
What is the SMILES notation for 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid?
The canonical SMILES for 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid is CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2.
What is the InChIKey of 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid?
The InChIKey is SSLKTPMFZMERSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37NO7/c1-4-6-20-23(12-9-19-10-13-25(29(32)33)37-26(19)20)35-15-5-16-36-24-14-11-21(28(31)30-2)27(34-3)22(24)17-18-7-8-18/h9,11-12,14,18,25H,4-8,10,13,15-17H2,1-3H3,(H,30,31)(H,32,33).
What are the key properties of 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid?
7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid has a molecular weight of 511.62 g/mol, XLogP of 4.59, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid is sourced from PubChem (CID 15237280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).