N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide

C18H30N2O — CID 60937133

IUPACN-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)CCNC(C)(C)C
InChIInChI=1S/C18H30N2O/c1-6-15(2)20(14-16-10-8-7-9-11-16)17(21)12-13-19-18(3,4)5/h7-11,15,19H,6,12-14H2,1-5H3
InChIKeyIYVGVZLQOHJYAT-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.59
Rot. Bonds7

About N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide

N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide (PubChem CID 60937133) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide
PubChem CID60937133
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)CCNC(C)(C)C
InChIInChI=1S/C18H30N2O/c1-6-15(2)20(14-16-10-8-7-9-11-16)17(21)12-13-19-18(3,4)5/h7-11,15,19H,6,12-14H2,1-5H3
InChIKeyIYVGVZLQOHJYAT-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-butan-2-ylbutanamide
CID 60717440
N-benzyl-N-butan-2-ylpentanamide
CID 78842113
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide
CID 109031682
N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide
CID 60849883
N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide
CID 109020269
3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide
CID 112501851
5-[benzyl(pentan-3-yl)amino]-2,2-dimethyl-5-oxopentanoic acid
CID 141420247
3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 61452589
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate
CID 79345421

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide?
The IUPAC name of N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide (CID 60937133) is N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide is CCC(C)N(Cc1ccccc1)C(=O)CCNC(C)(C)C.
What is the InChIKey of N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide?
The InChIKey is IYVGVZLQOHJYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-15(2)20(14-16-10-8-7-9-11-16)17(21)12-13-19-18(3,4)5/h7-11,15,19H,6,12-14H2,1-5H3.
What are the key properties of N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide?
N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide has a molecular weight of 290.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide is sourced from PubChem (CID 60937133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).