2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide

C16H22N2O2 — CID 113158405

IUPAC2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)C1CC1
InChIInChI=1S/C16H22N2O2/c1-11(2)13-4-6-14(7-5-13)17-16(20)10-18(12(3)19)15-8-9-15/h4-7,11,15H,8-10H2,1-3H3,(H,17,20)
InChIKeyHKUOPBCUUAXRHG-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.76
Rot. Bonds5

About 2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide

2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 113158405) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID113158405
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)C1CC1
InChIInChI=1S/C16H22N2O2/c1-11(2)13-4-6-14(7-5-13)17-16(20)10-18(12(3)19)15-8-9-15/h4-7,11,15H,8-10H2,1-3H3,(H,17,20)
InChIKeyHKUOPBCUUAXRHG-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(cyclopropyl)amino]-N-(4-bromophenyl)acetamide
CID 113158424
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113116612
2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 61185121
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419
2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166396
2-[acetyl(cyclopentyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159310
2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113159358
2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113175968
2-[acetyl(cyclohexyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159508
2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide
CID 113166356
2-[acetyl(cyclopropyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113158453

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide (CID 113158405) is 2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)C1CC1.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is HKUOPBCUUAXRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)13-4-6-14(7-5-13)17-16(20)10-18(12(3)19)15-8-9-15/h4-7,11,15H,8-10H2,1-3H3,(H,17,20).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide?
2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113158405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).