3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide

C21H25ClN2O3 — CID 119773406

IUPAC3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C21H25ClN2O3/c22-17-4-9-20(10-5-17)27-12-11-26-19-7-1-15(2-8-19)14-24-21(25)16-3-6-18(23)13-16/h1-2,4-5,7-10,16,18H,3,6,11-14,23H2,(H,24,25)
InChIKeyRVWFTBABQYFQHW-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.54
Rot. Bonds8

About 3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide

3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 119773406) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID119773406
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C21H25ClN2O3/c22-17-4-9-20(10-5-17)27-12-11-26-19-7-1-15(2-8-19)14-24-21(25)16-3-6-18(23)13-16/h1-2,4-5,7-10,16,18H,3,6,11-14,23H2,(H,24,25)
InChIKeyRVWFTBABQYFQHW-UHFFFAOYSA-N
XLogP3.54
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.54
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-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119877262
3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119805976
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 155938702
3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834
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-(4-phenoxybutanoylamino)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119718484
3-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712143
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119698450

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide (CID 119773406) is 3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of 3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is RVWFTBABQYFQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c22-17-4-9-20(10-5-17)27-12-11-26-19-7-1-15(2-8-19)14-24-21(25)16-3-6-18(23)13-16/h1-2,4-5,7-10,16,18H,3,6,11-14,23H2,(H,24,25).
What are the key properties of 3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide?
3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 3.54, 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-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119773406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).