(3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide

C16H20N2O2 — CID 71257877

IUPAC(3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1[C@@H](N)CC(=O)NCCc1ccco1
InChIInChI=1S/C16H20N2O2/c1-12-5-2-3-7-14(12)15(17)11-16(19)18-9-8-13-6-4-10-20-13/h2-7,10,15H,8-9,11,17H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyJAMUROZNIPUZDU-HNNXBMFYSA-N
MW272.35 g/mol
LogP2.34
Rot. Bonds6

About (3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide

(3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide (PubChem CID 71257877) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide
PubChem CID71257877
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1[C@@H](N)CC(=O)NCCc1ccco1
InChIInChI=1S/C16H20N2O2/c1-12-5-2-3-7-14(12)15(17)11-16(19)18-9-8-13-6-4-10-20-13/h2-7,10,15H,8-9,11,17H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyJAMUROZNIPUZDU-HNNXBMFYSA-N
XLogP2.34
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-N-butyl-3-(2-methylphenyl)propanamide
CID 71258043
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 55155984
2-amino-N-[2-(furan-2-yl)ethyl]butanamide
CID 43649605
(2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 82961514
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
CID 63679731
N-[2-(furan-2-yl)ethyl]-4-hydroxypentanamide
CID 79201221
3-(carbamoylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(2-methylphenyl)propanamide
CID 86925215
1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
CID 105140596
2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]acetamide
CID 60847606
(2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide
CID 61156256
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide?
The IUPAC name of (3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide (CID 71257877) is (3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for (3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for (3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide is Cc1ccccc1[C@@H](N)CC(=O)NCCc1ccco1.
What is the InChIKey of (3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide?
The InChIKey is JAMUROZNIPUZDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-5-2-3-7-14(12)15(17)11-16(19)18-9-8-13-6-4-10-20-13/h2-7,10,15H,8-9,11,17H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide?
(3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 71257877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).