3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide

C18H29N3O2 — CID 119877262

IUPAC3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide
SMILESCN(C)CCCOc1ccc(CNC(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C18H29N3O2/c1-21(2)10-3-11-23-17-8-4-14(5-9-17)13-20-18(22)15-6-7-16(19)12-15/h4-5,8-9,15-16H,3,6-7,10-13,19H2,1-2H3,(H,20,22)
InChIKeyJVGFNOBNYNDCFT-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.76
Rot. Bonds8

About 3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide

3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 119877262) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID119877262
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide
SMILESCN(C)CCCOc1ccc(CNC(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C18H29N3O2/c1-21(2)10-3-11-23-17-8-4-14(5-9-17)13-20-18(22)15-6-7-16(19)12-15/h4-5,8-9,15-16H,3,6-7,10-13,19H2,1-2H3,(H,20,22)
InChIKeyJVGFNOBNYNDCFT-UHFFFAOYSA-N
XLogP1.76
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenoxy]butanoate
CID 119787943
3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119773406
3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119805976
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
CID 83332704
3-amino-N-[[4-(4-phenoxybutanoylamino)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119718484
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 155938702
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505
3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-2-methylbutanamide
CID 120503727
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119886335

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide (CID 119877262) is 3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide is CN(C)CCCOc1ccc(CNC(=O)C2CCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is JVGFNOBNYNDCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-21(2)10-3-11-23-17-8-4-14(5-9-17)13-20-18(22)15-6-7-16(19)12-15/h4-5,8-9,15-16H,3,6-7,10-13,19H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide?
3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119877262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).