(2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide

C17H23N3O3 — CID 95328711

IUPAC(2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
SMILESCc1c([C@H](NC(=O)[C@H](C)NC(N)=O)C(C)C)oc2ccccc12
InChIInChI=1S/C17H23N3O3/c1-9(2)14(20-16(21)11(4)19-17(18)22)15-10(3)12-7-5-6-8-13(12)23-15/h5-9,11,14H,1-4H3,(H,20,21)(H3,18,19,22)/t11-,14+/m0/s1
InChIKeyLHNHHBBXMLZPGX-SMDDNHRTSA-N
MW317.39 g/mol
LogP2.61
Rot. Bonds5

About (2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide

(2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide (PubChem CID 95328711) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
PubChem CID95328711
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
SMILESCc1c([C@H](NC(=O)[C@H](C)NC(N)=O)C(C)C)oc2ccccc12
InChIInChI=1S/C17H23N3O3/c1-9(2)14(20-16(21)11(4)19-17(18)22)15-10(3)12-7-5-6-8-13(12)23-15/h5-9,11,14H,1-4H3,(H,20,21)(H3,18,19,22)/t11-,14+/m0/s1
InChIKeyLHNHHBBXMLZPGX-SMDDNHRTSA-N
XLogP2.61
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide
CID 56789337
2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride
CID 119323150
3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
CID 119323143
7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide
CID 119782837
(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
CID 119737273
1-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-3-(4-methylsulfonylphenyl)urea
CID 166532501
4-[[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001879
2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119782858
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778207
1-[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-3-(1-propan-2-ylpyrrolidin-3-yl)urea
CID 176854087
2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
CID 119296949
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide (CID 95328711) is (2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide is Cc1c([C@H](NC(=O)[C@H](C)NC(N)=O)C(C)C)oc2ccccc12.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide?
The InChIKey is LHNHHBBXMLZPGX-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-9(2)14(20-16(21)11(4)19-17(18)22)15-10(3)12-7-5-6-8-13(12)23-15/h5-9,11,14H,1-4H3,(H,20,21)(H3,18,19,22)/t11-,14+/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide?
(2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide has a molecular weight of 317.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide is sourced from PubChem (CID 95328711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).