3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide

C14H21N3O2 — CID 119750989

IUPAC3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide
SMILESCC(N)CC(=O)NC(C)C(=O)NCc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-10(15)8-13(18)17-11(2)14(19)16-9-12-6-4-3-5-7-12/h3-7,10-11H,8-9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyUTZLBFTVNMDDDD-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.54
Rot. Bonds6

About 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide

3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide (PubChem CID 119750989) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide
PubChem CID119750989
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide
SMILESCC(N)CC(=O)NC(C)C(=O)NCc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-10(15)8-13(18)17-11(2)14(19)16-9-12-6-4-3-5-7-12/h3-7,10-11H,8-9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyUTZLBFTVNMDDDD-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminoacetyl)amino]-N-benzylpropanamide
CID 119304547
(2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid
CID 11381255
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 15296843
7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide
CID 119750951
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride
CID 119750986
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate
CID 123797558
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
2,3-diamino-N-benzylbutanamide
CID 143155055

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide?
The IUPAC name of 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide (CID 119750989) is 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide?
The canonical SMILES for 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide is CC(N)CC(=O)NC(C)C(=O)NCc1ccccc1.
What is the InChIKey of 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide?
The InChIKey is UTZLBFTVNMDDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(15)8-13(18)17-11(2)14(19)16-9-12-6-4-3-5-7-12/h3-7,10-11H,8-9,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide?
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide has a molecular weight of 263.34 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 119750989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).