(2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide

C19H23N3O3 — CID 7824756

IUPAC(2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide
SMILESCC(C)C[C@H](NC(N)=O)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H23N3O3/c1-13(2)12-17(22-19(20)24)18(23)21-14-8-10-16(11-9-14)25-15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3,(H,21,23)(H3,20,22,24)/t17-/m0/s1
InChIKeyJTMGFGDODGWFSQ-KRWDZBQOSA-N
MW341.41 g/mol
LogP3.50
Rot. Bonds7

About (2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide

(2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide (PubChem CID 7824756) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide
PubChem CID7824756
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide
SMILESCC(C)C[C@H](NC(N)=O)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H23N3O3/c1-13(2)12-17(22-19(20)24)18(23)21-14-8-10-16(11-9-14)25-15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3,(H,21,23)(H3,20,22,24)/t17-/m0/s1
InChIKeyJTMGFGDODGWFSQ-KRWDZBQOSA-N
XLogP3.50
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 18160503
(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
CID 7910463
(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219440
methyl (2S)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate
CID 5389782
2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide
CID 18159437
ethyl (E)-3-[4-[[2-(carbamoylamino)-4-methylpentanoyl]amino]phenyl]prop-2-enoate
CID 42923418
2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide
CID 60668454
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide
CID 25481714
2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide
CID 67891223
2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide
CID 60629921
2-amino-4-methyl-N-(4-phenoxyphenyl)sulfanylpentanamide
CID 145138106

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide (CID 7824756) is (2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide is CC(C)C[C@H](NC(N)=O)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide?
The InChIKey is JTMGFGDODGWFSQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)12-17(22-19(20)24)18(23)21-14-8-10-16(11-9-14)25-15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3,(H,21,23)(H3,20,22,24)/t17-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide?
(2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide has a molecular weight of 341.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide is sourced from PubChem (CID 7824756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).