3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide

C19H28N2O3 — CID 146076984

IUPAC3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide
SMILESO=C(NC1CCOc2ccccc21)C(O)CNCC1CCCCC1
InChIInChI=1S/C19H28N2O3/c22-17(13-20-12-14-6-2-1-3-7-14)19(23)21-16-10-11-24-18-9-5-4-8-15(16)18/h4-5,8-9,14,16-17,20,22H,1-3,6-7,10-13H2,(H,21,23)
InChIKeyAWDMTLFPXWQGEV-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.16
Rot. Bonds6

About 3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide

3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide (PubChem CID 146076984) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide
PubChem CID146076984
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide
SMILESO=C(NC1CCOc2ccccc21)C(O)CNCC1CCCCC1
InChIInChI=1S/C19H28N2O3/c22-17(13-20-12-14-6-2-1-3-7-14)19(23)21-16-10-11-24-18-9-5-4-8-15(16)18/h4-5,8-9,14,16-17,20,22H,1-3,6-7,10-13H2,(H,21,23)
InChIKeyAWDMTLFPXWQGEV-UHFFFAOYSA-N
XLogP2.16
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 112814762
(2S,3R)-3-(cyclopentylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxybutanamide
CID 146094021
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 98755667
(2R)-2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylacetamide
CID 61180627
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide
CID 106171125
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
CID 104769305
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride
CID 119685133
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride
CID 119268919

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide?
The IUPAC name of 3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide (CID 146076984) is 3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide.
What is the SMILES notation for 3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide?
The canonical SMILES for 3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide is O=C(NC1CCOc2ccccc21)C(O)CNCC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide?
The InChIKey is AWDMTLFPXWQGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-17(13-20-12-14-6-2-1-3-7-14)19(23)21-16-10-11-24-18-9-5-4-8-15(16)18/h4-5,8-9,14,16-17,20,22H,1-3,6-7,10-13H2,(H,21,23).
What are the key properties of 3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide?
3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide has a molecular weight of 332.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide is sourced from PubChem (CID 146076984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).