N-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide

C20H26N2O4 — CID 119572917

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)NC(C)(CN)C3CC3)c(=O)oc2c1
InChIInChI=1S/C20H26N2O4/c1-12-15-7-6-14(25-3)10-17(15)26-19(24)16(12)8-9-18(23)22-20(2,11-21)13-4-5-13/h6-7,10,13H,4-5,8-9,11,21H2,1-3H3,(H,22,23)
InChIKeyPCPVSAMKUWOWHC-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.29
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide (PubChem CID 119572917) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
PubChem CID119572917
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)NC(C)(CN)C3CC3)c(=O)oc2c1
InChIInChI=1S/C20H26N2O4/c1-12-15-7-6-14(25-3)10-17(15)26-19(24)16(12)8-9-18(23)22-20(2,11-21)13-4-5-13/h6-7,10,13H,4-5,8-9,11,21H2,1-3H3,(H,22,23)
InChIKeyPCPVSAMKUWOWHC-UHFFFAOYSA-N
XLogP2.29
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamide
CID 6217287
3-(7-Methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-YL)-N-[(2-methoxyphenyl)methyl]propanamide
CID 4914188
N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamide
CID 4964273
3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(3-(2-oxopyrrolidin-1-yl)propyl)propanamide
CID 6216957
N-cyclopropyl-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide
CID 6236173
N-cyclopropyl-3-(4-methyl-7-((2-methylallyl)oxy)-2-oxo-2H-chromen-3-yl)propanamide
CID 8071017
2-[7-(Benzyloxy)-2-oxo-2H-chromen-4-yl]-N-methylacetamide
CID 44541906
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)propanamide
CID 4914238
N-[2-(2-fluorophenyl)ethyl]-3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamide
CID 6229359
3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 6229383
4-({[(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl]amino}methyl)cyclohexanecarboxylic acid
CID 1954694
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamide
CID 4914245

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide (CID 119572917) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide is COc1ccc2c(C)c(CCC(=O)NC(C)(CN)C3CC3)c(=O)oc2c1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The InChIKey is PCPVSAMKUWOWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-12-15-7-6-14(25-3)10-17(15)26-19(24)16(12)8-9-18(23)22-20(2,11-21)13-4-5-13/h6-7,10,13H,4-5,8-9,11,21H2,1-3H3,(H,22,23).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide has a molecular weight of 358.44 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide is sourced from PubChem (CID 119572917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).