4-amino-N-[(1-propylcyclopropyl)methyl]benzamide

C14H20N2O — CID 103813045

IUPAC4-amino-N-[(1-propylcyclopropyl)methyl]benzamide
SMILESCCCC1(CNC(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C14H20N2O/c1-2-7-14(8-9-14)10-16-13(17)11-3-5-12(15)6-4-11/h3-6H,2,7-10,15H2,1H3,(H,16,17)
InChIKeyUUGKOTPSJKZIFK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.58
Rot. Bonds5

About 4-amino-N-[(1-propylcyclopropyl)methyl]benzamide

4-amino-N-[(1-propylcyclopropyl)methyl]benzamide (PubChem CID 103813045) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-amino-N-[(1-propylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[(1-propylcyclopropyl)methyl]benzamide
PubChem CID103813045
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-amino-N-[(1-propylcyclopropyl)methyl]benzamide
SMILESCCCC1(CNC(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C14H20N2O/c1-2-7-14(8-9-14)10-16-13(17)11-3-5-12(15)6-4-11/h3-6H,2,7-10,15H2,1H3,(H,16,17)
InChIKeyUUGKOTPSJKZIFK-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762150
4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride
CID 119345529
4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride
CID 119812226
2-amino-6-methyl-N-[(1-propylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114101909
4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride
CID 119801690
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 104694588
4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114751099
4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717510
2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762311
6-amino-N-[(1-propylcyclopropyl)methyl]pyrazine-2-carboxamide
CID 114101902
4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 114112849
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-propylcyclopropyl)methyl]benzamide?
The IUPAC name of 4-amino-N-[(1-propylcyclopropyl)methyl]benzamide (CID 103813045) is 4-amino-N-[(1-propylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 4-amino-N-[(1-propylcyclopropyl)methyl]benzamide?
The canonical SMILES for 4-amino-N-[(1-propylcyclopropyl)methyl]benzamide is CCCC1(CNC(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of 4-amino-N-[(1-propylcyclopropyl)methyl]benzamide?
The InChIKey is UUGKOTPSJKZIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-7-14(8-9-14)10-16-13(17)11-3-5-12(15)6-4-11/h3-6H,2,7-10,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[(1-propylcyclopropyl)methyl]benzamide?
4-amino-N-[(1-propylcyclopropyl)methyl]benzamide has a molecular weight of 232.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-propylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 103813045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).