(2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide

C15H22ClN3O2 — CID 7905842

IUPAC(2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NC(N)=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O2/c1-3-10(2)13(19-15(17)21)14(20)18-9-8-11-4-6-12(16)7-5-11/h4-7,10,13H,3,8-9H2,1-2H3,(H,18,20)(H3,17,19,21)/t10-,13-/m0/s1
InChIKeyJJXNHQHFZWUQCA-GWCFXTLKSA-N
MW311.81 g/mol
LogP2.08
Rot. Bonds7

About (2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide

(2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide (PubChem CID 7905842) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is (2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide
PubChem CID7905842
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name(2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NC(N)=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O2/c1-3-10(2)13(19-15(17)21)14(20)18-9-8-11-4-6-12(16)7-5-11/h4-7,10,13H,3,8-9H2,1-2H3,(H,18,20)(H3,17,19,21)/t10-,13-/m0/s1
InChIKeyJJXNHQHFZWUQCA-GWCFXTLKSA-N
XLogP2.08
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide (CID 7905842) is (2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide is CC[C@H](C)[C@H](NC(N)=O)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of (2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide?
The InChIKey is JJXNHQHFZWUQCA-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-3-10(2)13(19-15(17)21)14(20)18-9-8-11-4-6-12(16)7-5-11/h4-7,10,13H,3,8-9H2,1-2H3,(H,18,20)(H3,17,19,21)/t10-,13-/m0/s1.
What are the key properties of (2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide?
(2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide has a molecular weight of 311.81 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide is sourced from PubChem (CID 7905842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).