N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide

C18H28N2O — CID 43460515

IUPACN-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide
SMILESCCCCCCCC(=O)N(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C18H28N2O/c1-2-3-4-5-6-7-18(21)20(17-12-13-17)14-15-8-10-16(19)11-9-15/h8-11,17H,2-7,12-14,19H2,1H3
InChIKeyFHGRLNIINSDCPO-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.12
Rot. Bonds9

About N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide

N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide (PubChem CID 43460515) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide
PubChem CID43460515
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide
SMILESCCCCCCCC(=O)N(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C18H28N2O/c1-2-3-4-5-6-7-18(21)20(17-12-13-17)14-15-8-10-16(19)11-9-15/h8-11,17H,2-7,12-14,19H2,1H3
InChIKeyFHGRLNIINSDCPO-UHFFFAOYSA-N
XLogP4.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclopropyl-3-propoxypropanamide
CID 62687145
3-(4-aminophenyl)-N-butyl-N-cyclopropylpropanamide
CID 61105833
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516
6-amino-N-benzyl-N-cyclopropylhexanamide
CID 43579228
N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide
CID 43461046
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylheptanamide
CID 42723814
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide
CID 43460533
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide
CID 103161534
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide
CID 4041529
N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide
CID 56538526
N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
CID 43460560
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide (CID 43460515) is N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide is CCCCCCCC(=O)N(Cc1ccc(N)cc1)C1CC1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide?
The InChIKey is FHGRLNIINSDCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-3-4-5-6-7-18(21)20(17-12-13-17)14-15-8-10-16(19)11-9-15/h8-11,17H,2-7,12-14,19H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide?
N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide has a molecular weight of 288.44 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide is sourced from PubChem (CID 43460515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).