N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide

C15H16N2O4 — CID 97082127

IUPACN-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide
SMILESCOC[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)C(N)=O
InChIInChI=1S/C15H16N2O4/c1-20-9-13(14(16)18)17-15(19)11-4-2-3-10(7-11)12-5-6-21-8-12/h2-8,13H,9H2,1H3,(H2,16,18)(H,17,19)/t13-/m1/s1
InChIKeyYXHQUEMUDCMRSZ-CYBMUJFWSA-N
MW288.30 g/mol
LogP1.18
Rot. Bonds6

About N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide

N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide (PubChem CID 97082127) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide
PubChem CID97082127
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide
SMILESCOC[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)C(N)=O
InChIInChI=1S/C15H16N2O4/c1-20-9-13(14(16)18)17-15(19)11-4-2-3-10(7-11)12-5-6-21-8-12/h2-8,13H,9H2,1H3,(H2,16,18)(H,17,19)/t13-/m1/s1
InChIKeyYXHQUEMUDCMRSZ-CYBMUJFWSA-N
XLogP1.18
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533658
(2S,3S)-2-[[3-(furan-3-yl)benzoyl]amino]-3-methylpentanoic acid
CID 120517399
methyl (2R)-2-[(3-aminobenzoyl)amino]-3-methoxypropanoate
CID 91203599
N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
CID 172776403
methyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate
CID 99840211
N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide
CID 97062302
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
2-[[3-(furan-3-yl)benzoyl]amino]-2-methylpentanoic acid
CID 120516946
N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide
CID 125168230
3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide
CID 118785915
2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide
CID 126426614
N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 144777996

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide?
The IUPAC name of N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide (CID 97082127) is N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide.
What is the SMILES notation for N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide?
The canonical SMILES for N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide is COC[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide?
The InChIKey is YXHQUEMUDCMRSZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-9-13(14(16)18)17-15(19)11-4-2-3-10(7-11)12-5-6-21-8-12/h2-8,13H,9H2,1H3,(H2,16,18)(H,17,19)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide?
N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide has a molecular weight of 288.30 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide is sourced from PubChem (CID 97082127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).