1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide

C17H26N2O2 — CID 119288961

IUPAC1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide
SMILESCc1ccc(OCCCCNC(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14-6-8-15(9-7-14)21-13-5-4-12-19-16(20)17(18)10-2-3-11-17/h6-9H,2-5,10-13,18H2,1H3,(H,19,20)
InChIKeyPCSKWPHYCGDHEC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.54
Rot. Bonds7

About 1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide

1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide (PubChem CID 119288961) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide
PubChem CID119288961
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide
SMILESCc1ccc(OCCCCNC(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14-6-8-15(9-7-14)21-13-5-4-12-19-16(20)17(18)10-2-3-11-17/h6-9H,2-5,10-13,18H2,1H3,(H,19,20)
InChIKeyPCSKWPHYCGDHEC-UHFFFAOYSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 83292674
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
CID 119302828
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119302836
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
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-[3-(3-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119331598
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655
1-amino-N-[3-(2-methylphenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317018

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide (CID 119288961) is 1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide is Cc1ccc(OCCCCNC(=O)C2(N)CCCC2)cc1.
What is the InChIKey of 1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide?
The InChIKey is PCSKWPHYCGDHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-6-8-15(9-7-14)21-13-5-4-12-19-16(20)17(18)10-2-3-11-17/h6-9H,2-5,10-13,18H2,1H3,(H,19,20).
What are the key properties of 1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide?
1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119288961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).