N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide

C16H24N2O2 — CID 62687145

IUPACN-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide
SMILESCCCOCCC(=O)N(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-2-10-20-11-9-16(19)18(15-7-8-15)12-13-3-5-14(17)6-4-13/h3-6,15H,2,7-12,17H2,1H3
InChIKeySKAABVQJTDWLFK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.58
Rot. Bonds8

About N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide

N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide (PubChem CID 62687145) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide
PubChem CID62687145
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide
SMILESCCCOCCC(=O)N(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-2-10-20-11-9-16(19)18(15-7-8-15)12-13-3-5-14(17)6-4-13/h3-6,15H,2,7-12,17H2,1H3
InChIKeySKAABVQJTDWLFK-UHFFFAOYSA-N
XLogP2.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide
CID 43460515
N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62589156
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide
CID 103161534
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide
CID 43460533
3-(4-aminophenyl)-N-butyl-N-cyclopropylpropanamide
CID 61105833
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516
N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
CID 43460560
ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate
CID 60725115
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362
2-propoxyethyl 3-(4-aminophenyl)propanoate
CID 63687090
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide (CID 62687145) is N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide is CCCOCCC(=O)N(Cc1ccc(N)cc1)C1CC1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide?
The InChIKey is SKAABVQJTDWLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-10-20-11-9-16(19)18(15-7-8-15)12-13-3-5-14(17)6-4-13/h3-6,15H,2,7-12,17H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide?
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide is sourced from PubChem (CID 62687145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).