N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide

C16H24N2O — CID 79860812

IUPACN-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC2CCCC2(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-4-15(19)18-13-9-7-12(8-10-13)17-14-6-5-11-16(14,2)3/h7-10,14,17H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyYKTGDCCLIFDHBP-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.03
Rot. Bonds4

About N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide

N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide (PubChem CID 79860812) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide
PubChem CID79860812
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC2CCCC2(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-4-15(19)18-13-9-7-12(8-10-13)17-14-6-5-11-16(14,2)3/h7-10,14,17H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyYKTGDCCLIFDHBP-UHFFFAOYSA-N
XLogP4.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate
CID 79863937
N-[4-(cyclohexylamino)phenyl]propanamide
CID 43720651
N-[4-(cyclooctylamino)phenyl]propanamide
CID 43720606
4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide
CID 79860273
N-(2,2-dimethylcyclopentyl)-4-nitroaniline
CID 79859591
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide
CID 79860490
N-(2,2-dimethylcyclopentyl)propanamide;ethane
CID 171523007
N-[3-[(2,2-dimethylcyclopentyl)amino]phenyl]acetamide
CID 79864740
2-amino-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79872672
4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide
CID 79871213
N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 79860710
2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79859610

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide?
The IUPAC name of N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide (CID 79860812) is N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide?
The canonical SMILES for N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC2CCCC2(C)C)cc1.
What is the InChIKey of N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide?
The InChIKey is YKTGDCCLIFDHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-15(19)18-13-9-7-12(8-10-13)17-14-6-5-11-16(14,2)3/h7-10,14,17H,4-6,11H2,1-3H3,(H,18,19).
What are the key properties of N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide?
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide has a molecular weight of 260.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide is sourced from PubChem (CID 79860812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).