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

C20H25N3O2 — CID 120592023

IUPAC4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(NC(=O)C(C)(N)c2ccccc2)ccc1C(=O)NC(C)C
InChIInChI=1S/C20H25N3O2/c1-13(2)22-18(24)17-11-10-16(12-14(17)3)23-19(25)20(4,21)15-8-6-5-7-9-15/h5-13H,21H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyDMAWOPDNYYYNCD-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.95
Rot. Bonds5

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

4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide (PubChem CID 120592023) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
PubChem CID120592023
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(NC(=O)C(C)(N)c2ccccc2)ccc1C(=O)NC(C)C
InChIInChI=1S/C20H25N3O2/c1-13(2)22-18(24)17-11-10-16(12-14(17)3)23-19(25)20(4,21)15-8-6-5-7-9-15/h5-13H,21H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyDMAWOPDNYYYNCD-UHFFFAOYSA-N
XLogP2.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide
CID 62488915
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 119780262
4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide
CID 119321678
2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide
CID 120588419
3-cyclohexyl-3-methyl-4-[3-methyl-4-(propan-2-ylcarbamoyl)anilino]-4-oxobutanoic acid
CID 119126026
2-amino-N-(3-hydroxy-4-methoxyphenyl)-2-phenylpropanamide
CID 62488059
5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 120631954
2-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylpropanamide;hydrochloride
CID 120586675
2-amino-N-(4-methoxyphenyl)-2-phenylpropanamide
CID 62487859
2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide
CID 107621841
4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 120589553
2-amino-N-(4-chloro-3-fluorophenyl)-2-phenylpropanamide
CID 62487359

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide (CID 120592023) is 4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide is Cc1cc(NC(=O)C(C)(N)c2ccccc2)ccc1C(=O)NC(C)C.
What is the InChIKey of 4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is DMAWOPDNYYYNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(2)22-18(24)17-11-10-16(12-14(17)3)23-19(25)20(4,21)15-8-6-5-7-9-15/h5-13H,21H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide?
4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 120592023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).