4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide

C14H21N3O2 — CID 119321678

IUPAC4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(NC(=O)[C@H](C)N)ccc1C(=O)NC(C)C
InChIInChI=1S/C14H21N3O2/c1-8(2)16-14(19)12-6-5-11(7-9(12)3)17-13(18)10(4)15/h5-8,10H,15H2,1-4H3,(H,16,19)(H,17,18)/t10-/m0/s1
InChIKeyVUJGVQPUHZRUIH-JTQLQIEISA-N
MW263.34 g/mol
LogP1.42
Rot. Bonds4

About 4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide

4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide (PubChem CID 119321678) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide
PubChem CID119321678
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(NC(=O)[C@H](C)N)ccc1C(=O)NC(C)C
InChIInChI=1S/C14H21N3O2/c1-8(2)16-14(19)12-6-5-11(7-9(12)3)17-13(18)10(4)15/h5-8,10H,15H2,1-4H3,(H,16,19)(H,17,18)/t10-/m0/s1
InChIKeyVUJGVQPUHZRUIH-JTQLQIEISA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 119780262
5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 120631954
2-amino-N-(3-bromo-4-methylphenyl)propanamide
CID 63334898
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 120592023
4-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119300417
5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119321729
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
2-methyl-4-(2-methylpropanoylamino)benzoate
CID 22303277
N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119321690
methyl 4-[[(2S)-2-aminopropanoyl]amino]-2-chlorobenzoate
CID 119329500

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide (CID 119321678) is 4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide is Cc1cc(NC(=O)[C@H](C)N)ccc1C(=O)NC(C)C.
What is the InChIKey of 4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is VUJGVQPUHZRUIH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8(2)16-14(19)12-6-5-11(7-9(12)3)17-13(18)10(4)15/h5-8,10H,15H2,1-4H3,(H,16,19)(H,17,18)/t10-/m0/s1.
What are the key properties of 4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide?
4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 119321678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).