3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide

C22H29N3O2 — CID 119526217

IUPAC3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NCC(N)c1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-15(2)17-9-11-18(12-10-17)20(23)14-24-22(27)13-21(25-16(3)26)19-7-5-4-6-8-19/h4-12,15,20-21H,13-14,23H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyVWHSCHWQUAFFFW-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.19
Rot. Bonds8

About 3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide

3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide (PubChem CID 119526217) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide
PubChem CID119526217
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NCC(N)c1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-15(2)17-9-11-18(12-10-17)20(23)14-24-22(27)13-21(25-16(3)26)19-7-5-4-6-8-19/h4-12,15,20-21H,13-14,23H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyVWHSCHWQUAFFFW-UHFFFAOYSA-N
XLogP3.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide
CID 111447233
2-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119526121
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119525416
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide
CID 63833481
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide;hydrochloride
CID 119526404
3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
CID 119498760
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
3-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 62693740

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide (CID 119526217) is 3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide is CC(=O)NC(CC(=O)NCC(N)c1ccc(C(C)C)cc1)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is VWHSCHWQUAFFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15(2)17-9-11-18(12-10-17)20(23)14-24-22(27)13-21(25-16(3)26)19-7-5-4-6-8-19/h4-12,15,20-21H,13-14,23H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide?
3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 367.49 g/mol, XLogP of 3.19, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119526217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).