N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide

C18H30N2O — CID 82984391

IUPACN-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide
SMILESCCCC(CCC)C(=O)N(CCC)c1ccc(CN)cc1
InChIInChI=1S/C18H30N2O/c1-4-7-16(8-5-2)18(21)20(13-6-3)17-11-9-15(14-19)10-12-17/h9-12,16H,4-8,13-14,19H2,1-3H3
InChIKeyRONQWFSLAUSRHI-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.10
Rot. Bonds9

About N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide

N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide (PubChem CID 82984391) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide
PubChem CID82984391
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide
SMILESCCCC(CCC)C(=O)N(CCC)c1ccc(CN)cc1
InChIInChI=1S/C18H30N2O/c1-4-7-16(8-5-2)18(21)20(13-6-3)17-11-9-15(14-19)10-12-17/h9-12,16H,4-8,13-14,19H2,1-3H3
InChIKeyRONQWFSLAUSRHI-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminophenyl)-N,2-dipropylpentanamide
CID 82983981
1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea
CID 79154788
1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea
CID 43275802
tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
CID 43275716
N-[4-(aminomethyl)phenyl]-4-hydroxy-N-propylbenzamide
CID 43275719
N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide
CID 43275737
N-[4-(aminomethyl)phenyl]-N-propylcyclohexanecarboxamide
CID 43275739
N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide
CID 79095271
N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide
CID 62688407
N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide
CID 114818479
N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 63085420
2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide
CID 65225792

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide (CID 82984391) is N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide is CCCC(CCC)C(=O)N(CCC)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide?
The InChIKey is RONQWFSLAUSRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-7-16(8-5-2)18(21)20(13-6-3)17-11-9-15(14-19)10-12-17/h9-12,16H,4-8,13-14,19H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide?
N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide has a molecular weight of 290.45 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide is sourced from PubChem (CID 82984391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).