N-tert-butyl-1-(3-methylbutanoylamino)cyclopentane-1-carboxamide

C15H28N2O2 — CID 117063026

IUPACN-tert-butyl-1-(3-methylbutanoylamino)cyclopentane-1-carboxamide
SMILESCC(C)CC(=O)NC1(C(=O)NC(C)(C)C)CCCC1
InChIInChI=1S/C15H28N2O2/c1-11(2)10-12(18)16-15(8-6-7-9-15)13(19)17-14(3,4)5/h11H,6-10H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyDDBXYTDVCOMEAX-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.38
Rot. Bonds4

About N-tert-butyl-1-(3-methylbutanoylamino)cyclopentane-1-carboxamide

N-tert-butyl-1-(3-methylbutanoylamino)cyclopentane-1-carboxamide (PubChem CID 117063026) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-tert-butyl-1-(3-methylbutanoylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(3-methylbutanoylamino)cyclopentane-1-carboxamide
PubChem CID117063026
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-tert-butyl-1-(3-methylbutanoylamino)cyclopentane-1-carboxamide
SMILESCC(C)CC(=O)NC1(C(=O)NC(C)(C)C)CCCC1
InChIInChI=1S/C15H28N2O2/c1-11(2)10-12(18)16-15(8-6-7-9-15)13(19)17-14(3,4)5/h11H,6-10H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyDDBXYTDVCOMEAX-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide
CID 63834334
1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 111564462
3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
CID 176873148
4-methyl-1-(3-methylbutanoylamino)cyclohexane-1-carboxylic acid
CID 43163143
1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid
CID 119176447
1-(4-methylpentanoylamino)cyclopentane-1-carboxamide
CID 70921490
1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 47345134
1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103997635
N-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide
CID 124742880
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide
CID 104982293
N-(1-carbamothioylcyclohexyl)-4-methylpentanamide
CID 61121329
1-[3-(ethylamino)butanoylamino]cyclobutane-1-carboxylic acid
CID 81161523

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(3-methylbutanoylamino)cyclopentane-1-carboxamide?
The IUPAC name of N-tert-butyl-1-(3-methylbutanoylamino)cyclopentane-1-carboxamide (CID 117063026) is N-tert-butyl-1-(3-methylbutanoylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(3-methylbutanoylamino)cyclopentane-1-carboxamide?
The canonical SMILES for N-tert-butyl-1-(3-methylbutanoylamino)cyclopentane-1-carboxamide is CC(C)CC(=O)NC1(C(=O)NC(C)(C)C)CCCC1.
What is the InChIKey of N-tert-butyl-1-(3-methylbutanoylamino)cyclopentane-1-carboxamide?
The InChIKey is DDBXYTDVCOMEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)10-12(18)16-15(8-6-7-9-15)13(19)17-14(3,4)5/h11H,6-10H2,1-5H3,(H,16,18)(H,17,19).
What are the key properties of N-tert-butyl-1-(3-methylbutanoylamino)cyclopentane-1-carboxamide?
N-tert-butyl-1-(3-methylbutanoylamino)cyclopentane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(3-methylbutanoylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 117063026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).