3,4-diamino-N-benzylbutanamide

C11H17N3O — CID 57016843

IUPAC3,4-diamino-N-benzylbutanamide
SMILESNCC(N)CC(=O)NCc1ccccc1
InChIInChI=1S/C11H17N3O/c12-7-10(13)6-11(15)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12-13H2,(H,14,15)
InChIKeyLKORDMVHTGVBDX-UHFFFAOYSA-N
MW207.28 g/mol
LogP-0.02
Rot. Bonds5

About 3,4-diamino-N-benzylbutanamide

3,4-diamino-N-benzylbutanamide (PubChem CID 57016843) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3,4-diamino-N-benzylbutanamide.

Molecular Properties

Compound Name3,4-diamino-N-benzylbutanamide
PubChem CID57016843
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3,4-diamino-N-benzylbutanamide
SMILESNCC(N)CC(=O)NCc1ccccc1
InChIInChI=1S/C11H17N3O/c12-7-10(13)6-11(15)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12-13H2,(H,14,15)
InChIKeyLKORDMVHTGVBDX-UHFFFAOYSA-N
XLogP-0.02
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317
N-benzyl-3-hydroxy-3-phenylpropanamide
CID 15473661
N-benzyl-3,4-dihydroxybutanamide
CID 69242116
3,4-diamino-N-(2-phenoxyethyl)butanamide
CID 87732919
N,N'-dibenzyl-2-bromobutanediamide
CID 12947254
(3R)-N-benzyl-3-hydroxypentanamide
CID 130658384
5-(benzylamino)-5-oxo-3-phenylpentanoic acid
CID 70196436
N-benzyl-2-hydrazinylacetamide
CID 15514349
(3R)-3-acetamido-N-benzyl-3-hydroxypropanamide
CID 171785861
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
2-amino-N-[2-(benzylamino)-2-oxoethyl]butanediamide
CID 60971806

Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-N-benzylbutanamide?
The IUPAC name of 3,4-diamino-N-benzylbutanamide (CID 57016843) is 3,4-diamino-N-benzylbutanamide.
What is the SMILES notation for 3,4-diamino-N-benzylbutanamide?
The canonical SMILES for 3,4-diamino-N-benzylbutanamide is NCC(N)CC(=O)NCc1ccccc1.
What is the InChIKey of 3,4-diamino-N-benzylbutanamide?
The InChIKey is LKORDMVHTGVBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-7-10(13)6-11(15)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12-13H2,(H,14,15).
What are the key properties of 3,4-diamino-N-benzylbutanamide?
3,4-diamino-N-benzylbutanamide has a molecular weight of 207.28 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-N-benzylbutanamide is sourced from PubChem (CID 57016843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).