2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide

C20H30N2O2 — CID 112814762

IUPAC2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
SMILESCC(C(=O)NC1CCOc2ccccc21)N(C)CC1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-15(22(2)14-16-8-4-3-5-9-16)20(23)21-18-12-13-24-19-11-7-6-10-17(18)19/h6-7,10-11,15-16,18H,3-5,8-9,12-14H2,1-2H3,(H,21,23)
InChIKeyLMCJFZVXDPWJKK-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.53
Rot. Bonds5

About 2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide

2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide (PubChem CID 112814762) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide.

Molecular Properties

Compound Name2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
PubChem CID112814762
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
SMILESCC(C(=O)NC1CCOc2ccccc21)N(C)CC1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-15(22(2)14-16-8-4-3-5-9-16)20(23)21-18-12-13-24-19-11-7-6-10-17(18)19/h6-7,10-11,15-16,18H,3-5,8-9,12-14H2,1-2H3,(H,21,23)
InChIKeyLMCJFZVXDPWJKK-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide
CID 146076984
(2S,3R)-3-(cyclopentylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxybutanamide
CID 146094021
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 98755667
2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 18115199
2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 116675622
N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 134794851
2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 62365398
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride
CID 119268919

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide?
The IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide (CID 112814762) is 2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide.
What is the SMILES notation for 2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide?
The canonical SMILES for 2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide is CC(C(=O)NC1CCOc2ccccc21)N(C)CC1CCCCC1.
What is the InChIKey of 2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide?
The InChIKey is LMCJFZVXDPWJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(22(2)14-16-8-4-3-5-9-16)20(23)21-18-12-13-24-19-11-7-6-10-17(18)19/h6-7,10-11,15-16,18H,3-5,8-9,12-14H2,1-2H3,(H,21,23).
What are the key properties of 2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide?
2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide has a molecular weight of 330.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide is sourced from PubChem (CID 112814762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).