N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide

C22H28N2O6 — CID 4608789

IUPACN-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
SMILESCOc1ccc2c(CC(=O)NC(CO)C(=O)NCC3CCCCC3)cc(=O)oc2c1
InChIInChI=1S/C22H28N2O6/c1-29-16-7-8-17-15(10-21(27)30-19(17)11-16)9-20(26)24-18(13-25)22(28)23-12-14-5-3-2-4-6-14/h7-8,10-11,14,18,25H,2-6,9,12-13H2,1H3,(H,23,28)(H,24,26)
InChIKeyKHMYDVOIPIPZCM-UHFFFAOYSA-N
MW416.47 g/mol
LogP1.52
Rot. Bonds8

About N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide

N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide (PubChem CID 4608789) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
PubChem CID4608789
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC NameN-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
SMILESCOc1ccc2c(CC(=O)NC(CO)C(=O)NCC3CCCCC3)cc(=O)oc2c1
InChIInChI=1S/C22H28N2O6/c1-29-16-7-8-17-15(10-21(27)30-19(17)11-16)9-20(26)24-18(13-25)22(28)23-12-14-5-3-2-4-6-14/h7-8,10-11,14,18,25H,2-6,9,12-13H2,1H3,(H,23,28)(H,24,26)
InChIKeyKHMYDVOIPIPZCM-UHFFFAOYSA-N
XLogP1.52
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide 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

(2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
CID 6723110
(2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 6723132
N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide
CID 3379087
(2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 6724357
2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 41180448
cyclopentane;N-(3-cyclopentylpropyl)-2-(7-methoxy-2-oxochromen-4-yl)acetamide;deuterioethyne;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;3-triethoxysilylpropan-1-amine
CID 161185603
N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9053292
4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-7-methoxychromen-2-one
CID 9339880
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride
CID 134111790
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide
CID 8906572
4-[[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]methyl]-7-methoxychromen-2-one
CID 51684418

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide (CID 4608789) is N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide is COc1ccc2c(CC(=O)NC(CO)C(=O)NCC3CCCCC3)cc(=O)oc2c1.
What is the InChIKey of N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide?
The InChIKey is KHMYDVOIPIPZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-29-16-7-8-17-15(10-21(27)30-19(17)11-16)9-20(26)24-18(13-25)22(28)23-12-14-5-3-2-4-6-14/h7-8,10-11,14,18,25H,2-6,9,12-13H2,1H3,(H,23,28)(H,24,26).
What are the key properties of N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide?
N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide has a molecular weight of 416.47 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide is sourced from PubChem (CID 4608789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).