N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide

C16H25N3O2 — CID 54817609

IUPACN-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNC(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-4-5-10-17-16(21)13-6-8-14(9-7-13)19-15(20)11-18-12(2)3/h6-9,12,18H,4-5,10-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyWZLOIYPXDNQDMJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.15
Rot. Bonds8

About N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide

N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide (PubChem CID 54817609) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide
PubChem CID54817609
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNC(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-4-5-10-17-16(21)13-6-8-14(9-7-13)19-15(20)11-18-12(2)3/h6-9,12,18H,4-5,10-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyWZLOIYPXDNQDMJ-UHFFFAOYSA-N
XLogP2.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
4-[[2-(4-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54811246
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
N-hexyl-4-(propanoylamino)benzamide
CID 17257310
N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide
CID 54813570
4-(butanoylamino)-N-hexylbenzamide
CID 3934901
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
The IUPAC name of N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide (CID 54817609) is N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide is CCCCNC(=O)c1ccc(NC(=O)CNC(C)C)cc1.
What is the InChIKey of N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
The InChIKey is WZLOIYPXDNQDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-5-10-17-16(21)13-6-8-14(9-7-13)19-15(20)11-18-12(2)3/h6-9,12,18H,4-5,10-11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54817609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).