N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide

C16H22N2O2 — CID 110476181

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide
SMILESCC(C)(NC(=O)C1(c2ccccc2)CCCC1)C(N)=O
InChIInChI=1S/C16H22N2O2/c1-15(2,13(17)19)18-14(20)16(10-6-7-11-16)12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyPEIPZHLUZDUFFD-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.88
Rot. Bonds4

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 110476181) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide
PubChem CID110476181
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide
SMILESCC(C)(NC(=O)C1(c2ccccc2)CCCC1)C(N)=O
InChIInChI=1S/C16H22N2O2/c1-15(2,13(17)19)18-14(20)16(10-6-7-11-16)12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyPEIPZHLUZDUFFD-UHFFFAOYSA-N
XLogP1.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119642990

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide (CID 110476181) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide is CC(C)(NC(=O)C1(c2ccccc2)CCCC1)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is PEIPZHLUZDUFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-15(2,13(17)19)18-14(20)16(10-6-7-11-16)12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 110476181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).