3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide

C15H22N2O2 — CID 81090073

IUPAC3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
SMILESCCOc1cc(N)cc(C(=O)NCC2CCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-2-19-14-8-12(7-13(16)9-14)15(18)17-10-11-5-3-4-6-11/h7-9,11H,2-6,10,16H2,1H3,(H,17,18)
InChIKeyPTYBXKYXBIKAFL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.59
Rot. Bonds5

About 3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide

3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide (PubChem CID 81090073) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
PubChem CID81090073
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
SMILESCCOc1cc(N)cc(C(=O)NCC2CCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-2-19-14-8-12(7-13(16)9-14)15(18)17-10-11-5-3-4-6-11/h7-9,11H,2-6,10,16H2,1H3,(H,17,18)
InChIKeyPTYBXKYXBIKAFL-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethoxybenzamide
CID 81093505
3,5-diamino-N-(cyclopentylmethyl)benzamide
CID 61095768
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063
3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide
CID 81094286
3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
CID 83108291
3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102903247
3-amino-5-ethoxy-N-(2-methoxycyclopentyl)benzamide
CID 81090807
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide
CID 107843413
3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide
CID 81091443
3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide
CID 81090276
3-N-(cyclohexylmethyl)-5-ethoxybenzene-1,3-diamine
CID 80723108

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide?
The IUPAC name of 3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide (CID 81090073) is 3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide?
The canonical SMILES for 3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide is CCOc1cc(N)cc(C(=O)NCC2CCCC2)c1.
What is the InChIKey of 3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide?
The InChIKey is PTYBXKYXBIKAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-19-14-8-12(7-13(16)9-14)15(18)17-10-11-5-3-4-6-11/h7-9,11H,2-6,10,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide?
3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide is sourced from PubChem (CID 81090073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).