2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide

C16H21N3O2 — CID 64822399

IUPAC2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide
SMILESN#CCCCOc1cccc(NC(=O)C2CCCC2N)c1
InChIInChI=1S/C16H21N3O2/c17-9-1-2-10-21-13-6-3-5-12(11-13)19-16(20)14-7-4-8-15(14)18/h3,5-6,11,14-15H,1-2,4,7-8,10,18H2,(H,19,20)
InChIKeyYPXAJSDWVJJWEH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.44
Rot. Bonds6

About 2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide

2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide (PubChem CID 64822399) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide
PubChem CID64822399
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide
SMILESN#CCCCOc1cccc(NC(=O)C2CCCC2N)c1
InChIInChI=1S/C16H21N3O2/c17-9-1-2-10-21-13-6-3-5-12(11-13)19-16(20)14-7-4-8-15(14)18/h3,5-6,11,14-15H,1-2,4,7-8,10,18H2,(H,19,20)
InChIKeyYPXAJSDWVJJWEH-UHFFFAOYSA-N
XLogP2.44
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.44
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

2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119723449
2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide
CID 64822364
2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 64824744
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 64824522
4-[3-(3-cyanopropoxy)anilino]-4-oxobutanoic acid
CID 60933599
2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 64822966
3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide
CID 62670693
2-amino-N-[3-(3-cyanopropoxy)phenyl]-3-methylbutanamide
CID 60927001
2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide
CID 60928110
2,2,2-trifluoroethyl N-[3-(3-cyanopropoxy)phenyl]carbamate
CID 65173271
3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide
CID 63044296
N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79776862

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide (CID 64822399) is 2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide is N#CCCCOc1cccc(NC(=O)C2CCCC2N)c1.
What is the InChIKey of 2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide?
The InChIKey is YPXAJSDWVJJWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-9-1-2-10-21-13-6-3-5-12(11-13)19-16(20)14-7-4-8-15(14)18/h3,5-6,11,14-15H,1-2,4,7-8,10,18H2,(H,19,20).
What are the key properties of 2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide?
2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 64822399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).