2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide

C14H22N4O2 — CID 43461145

IUPAC2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
SMILESCCCNC(=O)CN(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H22N4O2/c1-2-7-17-14(20)10-18(9-13(16)19)8-11-3-5-12(15)6-4-11/h3-6H,2,7-10,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyTTZMIZORPCELPC-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.08
Rot. Bonds8

About 2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide

2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide (PubChem CID 43461145) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
PubChem CID43461145
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
SMILESCCCNC(=O)CN(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H22N4O2/c1-2-7-17-14(20)10-18(9-13(16)19)8-11-3-5-12(15)6-4-11/h3-6H,2,7-10,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyTTZMIZORPCELPC-UHFFFAOYSA-N
XLogP0.08
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide
CID 61487456
2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide
CID 43384149
2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide
CID 61487336
2-[(4-aminophenyl)methyl-propylamino]-N-carbamoylacetamide
CID 43459558
4-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-methylbutanamide
CID 63890364
3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 62628056
2-[(4-aminophenyl)methyl-ethylamino]-N-carbamoylacetamide
CID 43383866
2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43458829
2-[(4-aminophenyl)methyl-(2-ethylsulfanylethyl)amino]acetamide
CID 113473702
3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61115612
2-(4-amino-N-propylanilino)-N-propylacetamide
CID 55174400
2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide
CID 105351844

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide (CID 43461145) is 2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide is CCCNC(=O)CN(CC(N)=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide?
The InChIKey is TTZMIZORPCELPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-7-17-14(20)10-18(9-13(16)19)8-11-3-5-12(15)6-4-11/h3-6H,2,7-10,15H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of 2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide?
2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide is sourced from PubChem (CID 43461145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).