N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide

C15H18N2O2 — CID 63753408

IUPACN-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(CN)Cc1ccccc1
InChIInChI=1S/C15H18N2O2/c1-11-7-8-19-14(11)15(18)17-13(10-16)9-12-5-3-2-4-6-12/h2-8,13H,9-10,16H2,1H3,(H,17,18)
InChIKeyRVRKOCHBQSACKH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.89
Rot. Bonds5

About N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide

N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide (PubChem CID 63753408) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide
PubChem CID63753408
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(CN)Cc1ccccc1
InChIInChI=1S/C15H18N2O2/c1-11-7-8-19-14(11)15(18)17-13(10-16)9-12-5-3-2-4-6-12/h2-8,13H,9-10,16H2,1H3,(H,17,18)
InChIKeyRVRKOCHBQSACKH-UHFFFAOYSA-N
XLogP1.89
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30049147
N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 63755410
N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide
CID 63754694
3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid
CID 16771699
N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide
CID 61247341
(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 99851595
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide
CID 61119426
3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
CID 43054971
4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120547237
N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide
CID 106356722
N-[(2R)-1-amino-3-phenylpropan-2-yl]-2-phenylbenzamide
CID 68724752
N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide
CID 70473357

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide (CID 63753408) is N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC(CN)Cc1ccccc1.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide?
The InChIKey is RVRKOCHBQSACKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-7-8-19-14(11)15(18)17-13(10-16)9-12-5-3-2-4-6-12/h2-8,13H,9-10,16H2,1H3,(H,17,18).
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide?
N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 63753408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).