(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide

C20H21N3O3 — CID 26132466

IUPAC(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide
SMILESC[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C20H21N3O3/c1-13(18-11-15-9-5-6-10-17(15)26-18)22-19(24)12-16(23-20(21)25)14-7-3-2-4-8-14/h2-11,13,16H,12H2,1H3,(H,22,24)(H3,21,23,25)/t13-,16+/m1/s1
InChIKeyTYWGDQZATZWSBW-CJNGLKHVSA-N
MW351.41 g/mol
LogP3.41
Rot. Bonds6

About (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide

(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide (PubChem CID 26132466) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide
PubChem CID26132466
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide
SMILESC[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C20H21N3O3/c1-13(18-11-15-9-5-6-10-17(15)26-18)22-19(24)12-16(23-20(21)25)14-7-3-2-4-8-14/h2-11,13,16H,12H2,1H3,(H,22,24)(H3,21,23,25)/t13-,16+/m1/s1
InChIKeyTYWGDQZATZWSBW-CJNGLKHVSA-N
XLogP3.41
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
3-amino-4-[1-(1-benzofuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 64894336
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 9366374
(3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide
CID 26082762
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide
CID 42950327
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol
CID 103784129

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide?
The IUPAC name of (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide (CID 26132466) is (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide.
What is the SMILES notation for (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide?
The canonical SMILES for (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide is C[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide?
The InChIKey is TYWGDQZATZWSBW-CJNGLKHVSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(18-11-15-9-5-6-10-17(15)26-18)22-19(24)12-16(23-20(21)25)14-7-3-2-4-8-14/h2-11,13,16H,12H2,1H3,(H,22,24)(H3,21,23,25)/t13-,16+/m1/s1.
What are the key properties of (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide?
(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide has a molecular weight of 351.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide is sourced from PubChem (CID 26132466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).