2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide

C16H27N3O — CID 79804762

IUPAC2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
SMILESCCN(c1ccc(NC(=O)C(C)(N)CC)cc1)C(C)C
InChIInChI=1S/C16H27N3O/c1-6-16(5,17)15(20)18-13-8-10-14(11-9-13)19(7-2)12(3)4/h8-12H,6-7,17H2,1-5H3,(H,18,20)
InChIKeyCGISNDBZWWEETI-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.99
Rot. Bonds6

About 2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide

2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide (PubChem CID 79804762) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
PubChem CID79804762
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
SMILESCCN(c1ccc(NC(=O)C(C)(N)CC)cc1)C(C)C
InChIInChI=1S/C16H27N3O/c1-6-16(5,17)15(20)18-13-8-10-14(11-9-13)19(7-2)12(3)4/h8-12H,6-7,17H2,1-5H3,(H,18,20)
InChIKeyCGISNDBZWWEETI-UHFFFAOYSA-N
XLogP2.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111925858
4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 79792462
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648
3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
CID 62727901
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79796549
3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide
CID 65265051
5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid
CID 43399748
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890686
4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide
CID 103155573
4-[ethyl(propan-2-yl)amino]benzoic acid
CID 43265964

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide (CID 79804762) is 2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide is CCN(c1ccc(NC(=O)C(C)(N)CC)cc1)C(C)C.
What is the InChIKey of 2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide?
The InChIKey is CGISNDBZWWEETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-16(5,17)15(20)18-13-8-10-14(11-9-13)19(7-2)12(3)4/h8-12H,6-7,17H2,1-5H3,(H,18,20).
What are the key properties of 2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide?
2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide has a molecular weight of 277.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide is sourced from PubChem (CID 79804762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).