4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide

C16H25N3O2 — CID 62838667

IUPAC4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide
SMILESCCNC(C)CC(=O)Nc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-5-17-12(4)10-15(20)19-14-8-6-13(7-9-14)16(21)18-11(2)3/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyUHEQBWRMJCDEOJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.15
Rot. Bonds7

About 4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide

4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide (PubChem CID 62838667) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide
PubChem CID62838667
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide
SMILESCCNC(C)CC(=O)Nc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-5-17-12(4)10-15(20)19-14-8-6-13(7-9-14)16(21)18-11(2)3/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyUHEQBWRMJCDEOJ-UHFFFAOYSA-N
XLogP2.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(ethylamino)butanoylamino]-N-methylbenzamide
CID 62837204
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
3-(ethylamino)-N-(4-propan-2-yloxyphenyl)butanamide
CID 62838247
4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
CID 16640627
3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid
CID 104503048
4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide
CID 62835672
4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119740075
N-[4-[3-(ethylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 62839619
N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120653498
4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119298478
(E)-3-[4-[3-(ethylamino)butanoylamino]phenyl]prop-2-enoic acid
CID 115342286
4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide
CID 79199156

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide (CID 62838667) is 4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide is CCNC(C)CC(=O)Nc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide?
The InChIKey is UHEQBWRMJCDEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-17-12(4)10-15(20)19-14-8-6-13(7-9-14)16(21)18-11(2)3/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide?
4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide has a molecular weight of 291.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 62838667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).