2-amino-3-(N-butylanilino)-2-methylpropanamide

C14H23N3O — CID 64585233

IUPAC2-amino-3-(N-butylanilino)-2-methylpropanamide
SMILESCCCCN(CC(C)(N)C(N)=O)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-3-4-10-17(11-14(2,16)13(15)18)12-8-6-5-7-9-12/h5-9H,3-4,10-11,16H2,1-2H3,(H2,15,18)
InChIKeyGKGOMVPMMIDMRP-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.50
Rot. Bonds7

About 2-amino-3-(N-butylanilino)-2-methylpropanamide

2-amino-3-(N-butylanilino)-2-methylpropanamide (PubChem CID 64585233) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-amino-3-(N-butylanilino)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-(N-butylanilino)-2-methylpropanamide
PubChem CID64585233
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-amino-3-(N-butylanilino)-2-methylpropanamide
SMILESCCCCN(CC(C)(N)C(N)=O)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-3-4-10-17(11-14(2,16)13(15)18)12-8-6-5-7-9-12/h5-9H,3-4,10-11,16H2,1-2H3,(H2,15,18)
InChIKeyGKGOMVPMMIDMRP-UHFFFAOYSA-N
XLogP1.50
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-butylanilino)propanamide
CID 63172183
3-(N-butylanilino)-2,2-dimethylpropanal
CID 64584464
1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine
CID 64586766
5-(N-butylanilino)-2,2-dimethylpentanimidamide
CID 65258340
4-(N-butylanilino)-2,2-dimethylbutanimidamide
CID 65252661
3-(N-butylanilino)-2-methyl-2-(methylamino)propan-1-ol
CID 64810426
N-butyl-N',2,2-trimethyl-N-phenylpropane-1,3-diamine
CID 64586402
3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64810630
2-(carboxymethoxy)acetic acid;N,N-dibutylaniline
CID 160531229
3-amino-N-butyl-3-methyl-N-phenylbutanamide
CID 64678131
3-(3-amino-N-propylanilino)-2,2-dimethylpropanoic acid
CID 79624524
3-(N-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821873

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(N-butylanilino)-2-methylpropanamide?
The IUPAC name of 2-amino-3-(N-butylanilino)-2-methylpropanamide (CID 64585233) is 2-amino-3-(N-butylanilino)-2-methylpropanamide.
What is the SMILES notation for 2-amino-3-(N-butylanilino)-2-methylpropanamide?
The canonical SMILES for 2-amino-3-(N-butylanilino)-2-methylpropanamide is CCCCN(CC(C)(N)C(N)=O)c1ccccc1.
What is the InChIKey of 2-amino-3-(N-butylanilino)-2-methylpropanamide?
The InChIKey is GKGOMVPMMIDMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-4-10-17(11-14(2,16)13(15)18)12-8-6-5-7-9-12/h5-9H,3-4,10-11,16H2,1-2H3,(H2,15,18).
What are the key properties of 2-amino-3-(N-butylanilino)-2-methylpropanamide?
2-amino-3-(N-butylanilino)-2-methylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(N-butylanilino)-2-methylpropanamide is sourced from PubChem (CID 64585233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).