N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide

C19H27ClN2O2 — CID 47798035

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(c2cccc(Cl)c2)CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C19H27ClN2O2/c1-13(16(23)22-18(2,3)4)21-17(24)19(10-5-6-11-19)14-8-7-9-15(20)12-14/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyPPUPCPPQFCDZOB-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.57
Rot. Bonds4

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide (PubChem CID 47798035) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
PubChem CID47798035
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(c2cccc(Cl)c2)CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C19H27ClN2O2/c1-13(16(23)22-18(2,3)4)21-17(24)19(10-5-6-11-19)14-8-7-9-15(20)12-14/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyPPUPCPPQFCDZOB-UHFFFAOYSA-N
XLogP3.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide
CID 103825229
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1-(3-chlorophenyl)-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide (CID 47798035) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide is CC(NC(=O)C1(c2cccc(Cl)c2)CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide?
The InChIKey is PPUPCPPQFCDZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-13(16(23)22-18(2,3)4)21-17(24)19(10-5-6-11-19)14-8-7-9-15(20)12-14/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide has a molecular weight of 350.89 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 47798035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).