3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide

C15H23N3O2 — CID 104502196

IUPAC3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide
SMILESCCNC(=O)C(C)NC(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C15H23N3O2/c1-4-17-15(20)11(3)18-14(19)9-10(2)12-5-7-13(16)8-6-12/h5-8,10-11H,4,9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySQLMVDISPFIOMH-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.40
Rot. Bonds6

About 3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide

3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide (PubChem CID 104502196) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide
PubChem CID104502196
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide
SMILESCCNC(=O)C(C)NC(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C15H23N3O2/c1-4-17-15(20)11(3)18-14(19)9-10(2)12-5-7-13(16)8-6-12/h5-8,10-11H,4,9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySQLMVDISPFIOMH-UHFFFAOYSA-N
XLogP1.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-aminophenyl)butanoylamino]butanedioic acid
CID 104502890
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
(2S)-2-[3-(4-aminophenyl)butanoylamino]-4-methylpentanoic acid
CID 104502398
2-[3-(4-aminophenyl)butanoylamino]-4-hydroxybutanoic acid
CID 104502412
3-(4-aminophenyl)-N-pent-1-yn-3-ylbutanamide
CID 114161325
(2R)-2-[3-(4-aminophenyl)butanoylamino]-4-hydroxybutanoic acid
CID 107825145
3-(4-aminophenyl)-N-octan-2-ylbutanamide
CID 104502252
4-[3-(4-aminophenyl)butanoylamino]-3-methylbutanoic acid
CID 104502854
2-[3-(4-aminophenyl)butanoylamino]-3-hydroxybutanoic acid
CID 104502367
3-(4-aminophenyl)-N-(1-methylsulfonylpropan-2-yl)butanamide
CID 104502707
(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide
CID 33275005
2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide
CID 43574376

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide (CID 104502196) is 3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide is CCNC(=O)C(C)NC(=O)CC(C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide?
The InChIKey is SQLMVDISPFIOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-17-15(20)11(3)18-14(19)9-10(2)12-5-7-13(16)8-6-12/h5-8,10-11H,4,9,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide?
3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide has a molecular weight of 277.37 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 104502196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).