4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

C19H28N2O4 — CID 47065905

IUPAC4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCOc1cc(C(=O)NCCC(=O)NC(C)C)ccc1OC1CCCC1
InChIInChI=1S/C19H28N2O4/c1-13(2)21-18(22)10-11-20-19(23)14-8-9-16(17(12-14)24-3)25-15-6-4-5-7-15/h8-9,12-13,15H,4-7,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyODDQJUXVHCIVIR-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.66
Rot. Bonds8

About 4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (PubChem CID 47065905) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.

Molecular Properties

Compound Name4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
PubChem CID47065905
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCOc1cc(C(=O)NCCC(=O)NC(C)C)ccc1OC1CCCC1
InChIInChI=1S/C19H28N2O4/c1-13(2)21-18(22)10-11-20-19(23)14-8-9-16(17(12-14)24-3)25-15-6-4-5-7-15/h8-9,12-13,15H,4-7,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyODDQJUXVHCIVIR-UHFFFAOYSA-N
XLogP2.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 119211996
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
CID 119223918
4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 55792742
4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 119620952
3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide
CID 175335295
N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 46613191
N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 142662106
4-cyclopentyloxy-3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887531
4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide
CID 55833905
4-cyclopentyloxy-3-methoxy-N-methyl-N-(2-oxopropyl)benzamide
CID 130184757

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The IUPAC name of 4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (CID 47065905) is 4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.
What is the SMILES notation for 4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The canonical SMILES for 4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is COc1cc(C(=O)NCCC(=O)NC(C)C)ccc1OC1CCCC1.
What is the InChIKey of 4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The InChIKey is ODDQJUXVHCIVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13(2)21-18(22)10-11-20-19(23)14-8-9-16(17(12-14)24-3)25-15-6-4-5-7-15/h8-9,12-13,15H,4-7,10-11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide has a molecular weight of 348.44 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is sourced from PubChem (CID 47065905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).