2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

C14H22N4O2 — CID 43461235

IUPAC2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCC(C)NC(=O)CN(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C14H22N4O2/c1-10(2)17-14(20)9-18(8-13(16)19)7-11-4-3-5-12(15)6-11/h3-6,10H,7-9,15H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeySFKNKRDQXZJVPL-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.08
Rot. Bonds7

About 2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (PubChem CID 43461235) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
PubChem CID43461235
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCC(C)NC(=O)CN(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C14H22N4O2/c1-10(2)17-14(20)9-18(8-13(16)19)7-11-4-3-5-12(15)6-11/h3-6,10H,7-9,15H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeySFKNKRDQXZJVPL-UHFFFAOYSA-N
XLogP0.08
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
2-[(3-aminophenyl)methyl-octylamino]acetamide
CID 43461268
2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43459091
2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 43461225
3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 62628056
2-[(3-aminophenyl)methyl-propylamino]-N-methylacetamide
CID 43459714
2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide
CID 106453572
2-[(3-aminophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 21460485
2-[(3-aminophenyl)methyl-propan-2-ylamino]-N-butan-2-ylacetamide
CID 43460260
2-[(3-amino-4-hydroxyphenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 54985803
2-[(3-aminophenyl)methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetamide
CID 116616285

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (CID 43461235) is 2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is CC(C)NC(=O)CN(CC(N)=O)Cc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The InChIKey is SFKNKRDQXZJVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)17-14(20)9-18(8-13(16)19)7-11-4-3-5-12(15)6-11/h3-6,10H,7-9,15H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of 2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is sourced from PubChem (CID 43461235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).