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

C14H21N3O2 — CID 7910463

IUPAC(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
SMILESCc1ccc(NC(=O)[C@H](CC(C)C)NC(N)=O)cc1
InChIInChI=1S/C14H21N3O2/c1-9(2)8-12(17-14(15)19)13(18)16-11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3,(H,16,18)(H3,15,17,19)/t12-/m0/s1
InChIKeyUDCUDFFGXIUVED-LBPRGKRZSA-N
MW263.34 g/mol
LogP2.02
Rot. Bonds5

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

(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide (PubChem CID 7910463) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
PubChem CID7910463
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
SMILESCc1ccc(NC(=O)[C@H](CC(C)C)NC(N)=O)cc1
InChIInChI=1S/C14H21N3O2/c1-9(2)8-12(17-14(15)19)13(18)16-11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3,(H,16,18)(H3,15,17,19)/t12-/m0/s1
InChIKeyUDCUDFFGXIUVED-LBPRGKRZSA-N
XLogP2.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219440
(2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide
CID 7824756
(2S)-2-(carbamoylamino)-N-(4-methylphenyl)-4-methylsulfanylbutanamide
CID 2455996
4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
CID 43007121
ethyl (E)-3-[4-[[2-(carbamoylamino)-4-methylpentanoyl]amino]phenyl]prop-2-enoate
CID 42923418
(2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide
CID 2572487
2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide
CID 60629921
methyl 4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzoate
CID 7965936
2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 18205011
[(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid
CID 90743753
2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide
CID 67891223

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide (CID 7910463) is (2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide is Cc1ccc(NC(=O)[C@H](CC(C)C)NC(N)=O)cc1.
What is the InChIKey of (2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide?
The InChIKey is UDCUDFFGXIUVED-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)8-12(17-14(15)19)13(18)16-11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3,(H,16,18)(H3,15,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide?
(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide has a molecular weight of 263.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide is sourced from PubChem (CID 7910463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).