3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide

C15H24N4O2 — CID 62628056

IUPAC3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H24N4O2/c1-11(2)18-15(21)7-8-19(10-14(17)20)9-12-3-5-13(16)6-4-12/h3-6,11H,7-10,16H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyUDTVJUKLAMATPB-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.47
Rot. Bonds8

About 3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide

3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide (PubChem CID 62628056) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide
PubChem CID62628056
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H24N4O2/c1-11(2)18-15(21)7-8-19(10-14(17)20)9-12-3-5-13(16)6-4-12/h3-6,11H,7-10,16H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyUDTVJUKLAMATPB-UHFFFAOYSA-N
XLogP0.47
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.47
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

4-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-methylbutanamide
CID 63890364
2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide
CID 43384149
2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide
CID 61485337
2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
CID 107440146
2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
CID 43461145
2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43461235
2-[(4-aminophenyl)methyl-(2-ethylsulfanylethyl)amino]acetamide
CID 113473702
2-[(4-aminophenyl)methyl-ethylamino]-N-pentan-2-ylacetamide
CID 61489645
3-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]propanoic acid
CID 82326759
3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 55098335
2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939182
2-[(4-aminophenyl)methyl-propylamino]-N-carbamoylacetamide
CID 43459558

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide (CID 62628056) is 3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN(CC(N)=O)Cc1ccc(N)cc1.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is UDTVJUKLAMATPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)18-15(21)7-8-19(10-14(17)20)9-12-3-5-13(16)6-4-12/h3-6,11H,7-10,16H2,1-2H3,(H2,17,20)(H,18,21).
What are the key properties of 3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide?
3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 62628056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).