N-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide

C18H30N2O — CID 43459457

IUPACN-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide
SMILESCCCCC(CC)C(=O)N(CCC)Cc1ccc(N)cc1
InChIInChI=1S/C18H30N2O/c1-4-7-8-16(6-3)18(21)20(13-5-2)14-15-9-11-17(19)12-10-15/h9-12,16H,4-8,13-14,19H2,1-3H3
InChIKeyQPBABTPOLIYZLP-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.22
Rot. Bonds9

About N-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide

N-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide (PubChem CID 43459457) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide
PubChem CID43459457
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide
SMILESCCCCC(CC)C(=O)N(CCC)Cc1ccc(N)cc1
InChIInChI=1S/C18H30N2O/c1-4-7-8-16(6-3)18(21)20(13-5-2)14-15-9-11-17(19)12-10-15/h9-12,16H,4-8,13-14,19H2,1-3H3
InChIKeyQPBABTPOLIYZLP-UHFFFAOYSA-N
XLogP4.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
CID 43459453
ethyl N-[(4-aminophenyl)methyl]-N-propylcarbamate
CID 43459532
(2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide
CID 107144457
[4-[[benzyl-[(2R)-2-ethylhexanoyl]amino]methyl]phenyl] methanesulfonate
CID 7237988
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685
[4-[[2-(dimethylamino)ethyl-[(2R)-2-ethylhexanoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 93019397
2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide
CID 107471232
4-amino-N-butyl-N-propylbenzamide
CID 127119640
methyl 2-[2-ethylhexanoyl(propyl)amino]acetate
CID 55006245
N-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide
CID 43297451
N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide
CID 43459468
N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide
CID 42705071

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide (CID 43459457) is N-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide is CCCCC(CC)C(=O)N(CCC)Cc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide?
The InChIKey is QPBABTPOLIYZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-7-8-16(6-3)18(21)20(13-5-2)14-15-9-11-17(19)12-10-15/h9-12,16H,4-8,13-14,19H2,1-3H3.
What are the key properties of N-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide?
N-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide has a molecular weight of 290.45 g/mol, XLogP of 4.22, 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]-2-ethyl-N-propylhexanamide is sourced from PubChem (CID 43459457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).