N-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide

C19H30N2O2 — CID 111560761

IUPACN-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCC(CCNC(=O)CC1(O)CCCC1)N(C)Cc1ccccc1
InChIInChI=1S/C19H30N2O2/c1-16(21(2)15-17-8-4-3-5-9-17)10-13-20-18(22)14-19(23)11-6-7-12-19/h3-5,8-9,16,23H,6-7,10-15H2,1-2H3,(H,20,22)
InChIKeyIWZXMTOSYNOINK-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.71
Rot. Bonds8

About N-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide

N-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 111560761) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID111560761
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCC(CCNC(=O)CC1(O)CCCC1)N(C)Cc1ccccc1
InChIInChI=1S/C19H30N2O2/c1-16(21(2)15-17-8-4-3-5-9-17)10-13-20-18(22)14-19(23)11-6-7-12-19/h3-5,8-9,16,23H,6-7,10-15H2,1-2H3,(H,20,22)
InChIKeyIWZXMTOSYNOINK-UHFFFAOYSA-N
XLogP2.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide
CID 111565556
1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
CID 119899255
3-amino-N-[3-[benzyl(methyl)amino]butyl]-3-phenylpropanamide;dihydrochloride
CID 119954189
N-[3-[benzyl(methyl)amino]butyl]octadecanamide;hydrochloride
CID 175021170
N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 111430885
2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 111464650
3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
CID 119899227
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430735
3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide
CID 119899223
2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 111428717
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
3-[[N'-[3-[benzyl(methyl)amino]butyl]-N-ethylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111719405

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide (CID 111560761) is N-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide is CC(CCNC(=O)CC1(O)CCCC1)N(C)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is IWZXMTOSYNOINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-16(21(2)15-17-8-4-3-5-9-17)10-13-20-18(22)14-19(23)11-6-7-12-19/h3-5,8-9,16,23H,6-7,10-15H2,1-2H3,(H,20,22).
What are the key properties of N-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide?
N-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 318.46 g/mol, XLogP of 2.71, 8 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]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 111560761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).