2-amino-N-benzyl-N-formylacetamide

C10H12N2O2 — CID 174343019

IUPAC2-amino-N-benzyl-N-formylacetamide
SMILESNCC(=O)N(C=O)Cc1ccccc1
InChIInChI=1S/C10H12N2O2/c11-6-10(14)12(8-13)7-9-4-2-1-3-5-9/h1-5,8H,6-7,11H2
InChIKeyIGJUSVPALGSPCZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.13
Rot. Bonds4

About 2-amino-N-benzyl-N-formylacetamide

2-amino-N-benzyl-N-formylacetamide (PubChem CID 174343019) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-formylacetamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-formylacetamide
PubChem CID174343019
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-amino-N-benzyl-N-formylacetamide
SMILESNCC(=O)N(C=O)Cc1ccccc1
InChIInChI=1S/C10H12N2O2/c11-6-10(14)12(8-13)7-9-4-2-1-3-5-9/h1-5,8H,6-7,11H2
InChIKeyIGJUSVPALGSPCZ-UHFFFAOYSA-N
XLogP0.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,N-dibenzylacetamide
CID 11107897
tert-butyl N-benzyl-N-formylcarbamate
CID 53419906
2-amino-N-benzyl-N-(3-hydroxypropyl)acetamide
CID 139387164
benzyl(ethenyl)carbamic acid
CID 22377754
2-amino-N-phenylacetohydrazide
CID 70067236
methyl (E)-2-[benzyl(formyl)amino]-3-hydroxyprop-2-enoate
CID 10999704
amino(benzyl)carbamic acid
CID 18704089
2-[(2-aminoacetyl)-benzylamino]-3-sulfanylpropanoic acid
CID 174949307
N-benzyl-N-ethenylpropanamide
CID 11469541
2-amino-N-benzyl-N-(2-methoxyphenyl)acetamide
CID 39369464
2-amino-N-[(4-chlorophenyl)methyl]-N-phenylacetamide
CID 39373717
2-amino-N-[(4-ethylphenyl)methyl]-N-phenylacetamide
CID 39367115

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-formylacetamide?
The IUPAC name of 2-amino-N-benzyl-N-formylacetamide (CID 174343019) is 2-amino-N-benzyl-N-formylacetamide.
What is the SMILES notation for 2-amino-N-benzyl-N-formylacetamide?
The canonical SMILES for 2-amino-N-benzyl-N-formylacetamide is NCC(=O)N(C=O)Cc1ccccc1.
What is the InChIKey of 2-amino-N-benzyl-N-formylacetamide?
The InChIKey is IGJUSVPALGSPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-6-10(14)12(8-13)7-9-4-2-1-3-5-9/h1-5,8H,6-7,11H2.
What are the key properties of 2-amino-N-benzyl-N-formylacetamide?
2-amino-N-benzyl-N-formylacetamide has a molecular weight of 192.22 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-formylacetamide is sourced from PubChem (CID 174343019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).