2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide

C18H30N2O — CID 115432024

IUPAC2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)C(CC)(CC)CN
InChIInChI=1S/C18H30N2O/c1-5-12-20(13-16-10-8-15(4)9-11-16)17(21)18(6-2,7-3)14-19/h8-11H,5-7,12-14,19H2,1-4H3
InChIKeyVKIDBODHQOJPID-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.50
Rot. Bonds8

About 2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide

2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide (PubChem CID 115432024) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
PubChem CID115432024
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)C(CC)(CC)CN
InChIInChI=1S/C18H30N2O/c1-5-12-20(13-16-10-8-15(4)9-11-16)17(21)18(6-2,7-3)14-19/h8-11H,5-7,12-14,19H2,1-4H3
InChIKeyVKIDBODHQOJPID-UHFFFAOYSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide
CID 103732461
2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869423
2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid
CID 113308947
3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869448
2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 60686287
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 115432066
2-amino-N-benzyl-2-methyl-N-propylbutanamide
CID 79797442
2-methyl-2-N-[(4-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62010396
2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide
CID 79805228
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 38669659
6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide
CID 63973383
4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide
CID 62687071

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide (CID 115432024) is 2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide is CCCN(Cc1ccc(C)cc1)C(=O)C(CC)(CC)CN.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide?
The InChIKey is VKIDBODHQOJPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-12-20(13-16-10-8-15(4)9-11-16)17(21)18(6-2,7-3)14-19/h8-11H,5-7,12-14,19H2,1-4H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide?
2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide has a molecular weight of 290.45 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide is sourced from PubChem (CID 115432024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).