3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide

C18H29N3O2 — CID 119598759

IUPAC3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NC(C)(CN)CC(C)C)c1ccccc1
InChIInChI=1S/C18H29N3O2/c1-13(2)11-18(4,12-19)21-17(23)10-16(20-14(3)22)15-8-6-5-7-9-15/h5-9,13,16H,10-12,19H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyHCAASSFVPDWKFX-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.13
Rot. Bonds8

About 3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide

3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide (PubChem CID 119598759) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
PubChem CID119598759
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NC(C)(CN)CC(C)C)c1ccccc1
InChIInChI=1S/C18H29N3O2/c1-13(2)11-18(4,12-19)21-17(23)10-16(20-14(3)22)15-8-6-5-7-9-15/h5-9,13,16H,10-12,19H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyHCAASSFVPDWKFX-UHFFFAOYSA-N
XLogP2.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
CID 122080681
N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpentanamide
CID 119599953
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methylphenyl)acetamide
CID 81424785
(2R)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119363670
3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide
CID 78781741
(2S)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119361300
3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119524471
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-bromophenyl)acetamide
CID 119599373
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
CID 114875694
3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 119574769
N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide (CID 119598759) is 3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide is CC(=O)NC(CC(=O)NC(C)(CN)CC(C)C)c1ccccc1.
What is the InChIKey of 3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide?
The InChIKey is HCAASSFVPDWKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13(2)11-18(4,12-19)21-17(23)10-16(20-14(3)22)15-8-6-5-7-9-15/h5-9,13,16H,10-12,19H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide?
3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide has a molecular weight of 319.45 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 119598759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).