N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

C19H22N2O4 — CID 95157191

IUPACN-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCc1cc(C)c2c(c1)[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)CCO2
InChIInChI=1S/C19H22N2O4/c1-11-8-12(2)17-15(9-11)16(5-7-25-17)21-18(22)13(3)20-19(23)14-4-6-24-10-14/h4,6,8-10,13,16H,5,7H2,1-3H3,(H,20,23)(H,21,22)/t13-,16-/m0/s1
InChIKeyHYZGJWFEXWEWKU-BBRMVZONSA-N
MW342.40 g/mol
LogP2.65
Rot. Bonds4

About N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 95157191) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID95157191
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCc1cc(C)c2c(c1)[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)CCO2
InChIInChI=1S/C19H22N2O4/c1-11-8-12(2)17-15(9-11)16(5-7-25-17)21-18(22)13(3)20-19(23)14-4-6-24-10-14/h4,6,8-10,13,16H,5,7H2,1-3H3,(H,20,23)(H,21,22)/t13-,16-/m0/s1
InChIKeyHYZGJWFEXWEWKU-BBRMVZONSA-N
XLogP2.65
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 95614827
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide
CID 97349458
N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide
CID 51104169
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 136512280
2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108734122
N-[(2S)-1-oxo-1-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734055
N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734053
N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51964853
N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120557066
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 97219941

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 95157191) is N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is Cc1cc(C)c2c(c1)[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)CCO2.
What is the InChIKey of N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is HYZGJWFEXWEWKU-BBRMVZONSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-11-8-12(2)17-15(9-11)16(5-7-25-17)21-18(22)13(3)20-19(23)14-4-6-24-10-14/h4,6,8-10,13,16H,5,7H2,1-3H3,(H,20,23)(H,21,22)/t13-,16-/m0/s1.
What are the key properties of N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 95157191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).