N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide

C18H31N3O — CID 82224974

IUPACN-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide
SMILESCCCCN(C)C(C(=O)Nc1ccc(CC)c(N)c1)C(C)C
InChIInChI=1S/C18H31N3O/c1-6-8-11-21(5)17(13(3)4)18(22)20-15-10-9-14(7-2)16(19)12-15/h9-10,12-13,17H,6-8,11,19H2,1-5H3,(H,20,22)
InChIKeyBIZSYWCXBWQOCV-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.53
Rot. Bonds8

About N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide

N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide (PubChem CID 82224974) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide
PubChem CID82224974
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide
SMILESCCCCN(C)C(C(=O)Nc1ccc(CC)c(N)c1)C(C)C
InChIInChI=1S/C18H31N3O/c1-6-8-11-21(5)17(13(3)4)18(22)20-15-10-9-14(7-2)16(19)12-15/h9-10,12-13,17H,6-8,11,19H2,1-5H3,(H,20,22)
InChIKeyBIZSYWCXBWQOCV-UHFFFAOYSA-N
XLogP3.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224973
N-(3-amino-4-ethylphenyl)-2-ethylbutanamide
CID 28866738
N-(3-amino-4-ethylphenyl)-2-methylpentanamide
CID 43550225
N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224820
N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide
CID 82224645
N-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224835
N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide
CID 61440840
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968
N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide
CID 82224695
2-[butyl(methyl)amino]-3-methylbutanamide
CID 82040476
N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272519
2-[[1-(3-aminoanilino)-3-methyl-1-oxobutan-2-yl]-methylamino]acetic acid
CID 82224656

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide (CID 82224974) is N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide is CCCCN(C)C(C(=O)Nc1ccc(CC)c(N)c1)C(C)C.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide?
The InChIKey is BIZSYWCXBWQOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-6-8-11-21(5)17(13(3)4)18(22)20-15-10-9-14(7-2)16(19)12-15/h9-10,12-13,17H,6-8,11,19H2,1-5H3,(H,20,22).
What are the key properties of N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide?
N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide has a molecular weight of 305.47 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide is sourced from PubChem (CID 82224974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).