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

C16H25N3O3 — CID 2096224

IUPAC(2S,3S)-2-(carbamoylamino)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NC(N)=O)C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C16H25N3O3/c1-4-11(2)14(19-16(17)21)15(20)18-10-9-12-5-7-13(22-3)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,20)(H3,17,19,21)/t11-,14-/m0/s1
InChIKeyDHOPVEMFAVRRKV-FZMZJTMJSA-N
MW307.39 g/mol
LogP1.44
Rot. Bonds8

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

(2S,3S)-2-(carbamoylamino)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide (PubChem CID 2096224) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2S,3S)-2-(carbamoylamino)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-(carbamoylamino)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
PubChem CID2096224
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(2S,3S)-2-(carbamoylamino)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NC(N)=O)C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C16H25N3O3/c1-4-11(2)14(19-16(17)21)15(20)18-10-9-12-5-7-13(22-3)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,20)(H3,17,19,21)/t11-,14-/m0/s1
InChIKeyDHOPVEMFAVRRKV-FZMZJTMJSA-N
XLogP1.44
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(carbamoylamino)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-(carbamoylamino)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide (CID 2096224) is (2S,3S)-2-(carbamoylamino)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-(carbamoylamino)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-(carbamoylamino)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide is CC[C@H](C)[C@H](NC(N)=O)C(=O)NCCc1ccc(OC)cc1.
What is the InChIKey of (2S,3S)-2-(carbamoylamino)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide?
The InChIKey is DHOPVEMFAVRRKV-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-11(2)14(19-16(17)21)15(20)18-10-9-12-5-7-13(22-3)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,20)(H3,17,19,21)/t11-,14-/m0/s1.
What are the key properties of (2S,3S)-2-(carbamoylamino)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide?
(2S,3S)-2-(carbamoylamino)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide has a molecular weight of 307.39 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(carbamoylamino)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide is sourced from PubChem (CID 2096224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).