(3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide

C20H27N3O3 — CID 92880603

IUPAC(3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1COc2ccc(NC(=O)NC3CCCCC3)cc2C1
InChIInChI=1S/C20H27N3O3/c1-2-10-21-19(24)15-11-14-12-17(8-9-18(14)26-13-15)23-20(25)22-16-6-4-3-5-7-16/h2,8-9,12,15-16H,1,3-7,10-11,13H2,(H,21,24)(H2,22,23,25)/t15-/m0/s1
InChIKeyXZKCPJJBJWUKGD-HNNXBMFYSA-N
MW357.45 g/mol
LogP2.99
Rot. Bonds5

About (3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 92880603) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID92880603
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1COc2ccc(NC(=O)NC3CCCCC3)cc2C1
InChIInChI=1S/C20H27N3O3/c1-2-10-21-19(24)15-11-14-12-17(8-9-18(14)26-13-15)23-20(25)22-16-6-4-3-5-7-16/h2,8-9,12,15-16H,1,3-7,10-11,13H2,(H,21,24)(H2,22,23,25)/t15-/m0/s1
InChIKeyXZKCPJJBJWUKGD-HNNXBMFYSA-N
XLogP2.99
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 46379866
N-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123408
6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123430
(3S)-N-(cyclohexylmethyl)-6-(2-methylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091251
6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123481
(3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091482
(3R)-6-[(4-chlorobenzoyl)amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091533
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-(phenylcarbamoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 92880598
1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 3271031
1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 47132834
6-acetamido-N-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123420
methyl 2-[[(3R)-6-(butanoylamino)-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetate
CID 95091078

Frequently Asked Questions

What is the IUPAC name of (3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 92880603) is (3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide is C=CCNC(=O)[C@@H]1COc2ccc(NC(=O)NC3CCCCC3)cc2C1.
What is the InChIKey of (3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is XZKCPJJBJWUKGD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-10-21-19(24)15-11-14-12-17(8-9-18(14)26-13-15)23-20(25)22-16-6-4-3-5-7-16/h2,8-9,12,15-16H,1,3-7,10-11,13H2,(H,21,24)(H2,22,23,25)/t15-/m0/s1.
What are the key properties of (3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 92880603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).