N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide

C18H28N2O2 — CID 111565556

IUPACN-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide
SMILESCC(CCNC(=O)C1(O)CCCC1)N(C)Cc1ccccc1
InChIInChI=1S/C18H28N2O2/c1-15(20(2)14-16-8-4-3-5-9-16)10-13-19-17(21)18(22)11-6-7-12-18/h3-5,8-9,15,22H,6-7,10-14H2,1-2H3,(H,19,21)
InChIKeyCIRFTGAHCHDNQH-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.32
Rot. Bonds7

About N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide

N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide (PubChem CID 111565556) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide
PubChem CID111565556
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide
SMILESCC(CCNC(=O)C1(O)CCCC1)N(C)Cc1ccccc1
InChIInChI=1S/C18H28N2O2/c1-15(20(2)14-16-8-4-3-5-9-16)10-13-19-17(21)18(22)11-6-7-12-18/h3-5,8-9,15,22H,6-7,10-14H2,1-2H3,(H,19,21)
InChIKeyCIRFTGAHCHDNQH-UHFFFAOYSA-N
XLogP2.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
CID 119899255
N-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111560761
N-[3-[benzyl(methyl)amino]butyl]octadecanamide;hydrochloride
CID 175021170
3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
CID 119899227
3-amino-N-[3-[benzyl(methyl)amino]butyl]-3-phenylpropanamide;dihydrochloride
CID 119954189
3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide
CID 119899223
N-[2-[[N-[3-[benzyl(methyl)amino]butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111718938
1-[3-[benzyl(methyl)amino]butyl]-2,3-dimethylguanidine;hydroiodide
CID 86778179
4-[[[N-[3-[benzyl(methyl)amino]butyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111719828
tert-butyl N-[2-[[N-[3-[benzyl(methyl)amino]butyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111719598
methyl 3-[[N-[3-[benzyl(methyl)amino]butyl]-N'-methylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111719631
N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
CID 71857199

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide (CID 111565556) is N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide is CC(CCNC(=O)C1(O)CCCC1)N(C)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide?
The InChIKey is CIRFTGAHCHDNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15(20(2)14-16-8-4-3-5-9-16)10-13-19-17(21)18(22)11-6-7-12-18/h3-5,8-9,15,22H,6-7,10-14H2,1-2H3,(H,19,21).
What are the key properties of N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide?
N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 111565556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).