1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide

C16H24N2O3 — CID 119302828

IUPAC1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(OCCCNC(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-20-13-5-7-14(8-6-13)21-12-4-11-18-15(19)16(17)9-2-3-10-16/h5-8H,2-4,9-12,17H2,1H3,(H,18,19)
InChIKeyYYEPSLWIWCTZGV-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.85
Rot. Bonds7

About 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide

1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide (PubChem CID 119302828) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
PubChem CID119302828
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(OCCCNC(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-20-13-5-7-14(8-6-13)21-12-4-11-18-15(19)16(17)9-2-3-10-16/h5-8H,2-4,9-12,17H2,1H3,(H,18,19)
InChIKeyYYEPSLWIWCTZGV-UHFFFAOYSA-N
XLogP1.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.85
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

1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119302836
1-amino-N-[3-(3-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119331598
1-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]cyclohexane-1-carboxamide
CID 119316937
1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide
CID 119288961
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119271539
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119296010
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119271538
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide
CID 119296017
1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119320030
1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 83292674
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide
CID 119274156
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119274155

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide (CID 119302828) is 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide is COc1ccc(OCCCNC(=O)C2(N)CCCC2)cc1.
What is the InChIKey of 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide?
The InChIKey is YYEPSLWIWCTZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-13-5-7-14(8-6-13)21-12-4-11-18-15(19)16(17)9-2-3-10-16/h5-8H,2-4,9-12,17H2,1H3,(H,18,19).
What are the key properties of 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide?
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119302828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).