N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide

C18H27N3O2 — CID 119792447

IUPACN-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
SMILESCC(=O)N(Cc1ccc(NC(=O)C2CCC(N)C2)cc1)C(C)C
InChIInChI=1S/C18H27N3O2/c1-12(2)21(13(3)22)11-14-4-8-17(9-5-14)20-18(23)15-6-7-16(19)10-15/h4-5,8-9,12,15-16H,6-7,10-11,19H2,1-3H3,(H,20,23)
InChIKeyYREIVEINLFITJM-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.51
Rot. Bonds5

About N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide

N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide (PubChem CID 119792447) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
PubChem CID119792447
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
SMILESCC(=O)N(Cc1ccc(NC(=O)C2CCC(N)C2)cc1)C(C)C
InChIInChI=1S/C18H27N3O2/c1-12(2)21(13(3)22)11-14-4-8-17(9-5-14)20-18(23)15-6-7-16(19)10-15/h4-5,8-9,12,15-16H,6-7,10-11,19H2,1-3H3,(H,20,23)
InChIKeyYREIVEINLFITJM-UHFFFAOYSA-N
XLogP2.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 60849621
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119719008
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119711689
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate
CID 119775675
3-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685724
3-amino-N-[4-(cyclopentyloxymethyl)phenyl]cyclopentane-1-carboxamide
CID 119795202
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide
CID 115377268
3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119867921

Frequently Asked Questions

What is the IUPAC name of N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide?
The IUPAC name of N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide (CID 119792447) is N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide?
The canonical SMILES for N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide is CC(=O)N(Cc1ccc(NC(=O)C2CCC(N)C2)cc1)C(C)C.
What is the InChIKey of N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide?
The InChIKey is YREIVEINLFITJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12(2)21(13(3)22)11-14-4-8-17(9-5-14)20-18(23)15-6-7-16(19)10-15/h4-5,8-9,12,15-16H,6-7,10-11,19H2,1-3H3,(H,20,23).
What are the key properties of N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide?
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide is sourced from PubChem (CID 119792447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).