4-(butylcarbamoylamino)-N-propan-2-ylbenzamide

C15H23N3O2 — CID 17180623

IUPAC4-(butylcarbamoylamino)-N-propan-2-ylbenzamide
SMILESCCCCNC(=O)Nc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-4-5-10-16-15(20)18-13-8-6-12(7-9-13)14(19)17-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,17,19)(H2,16,18,20)
InChIKeyZOCQGJKKXZZKTN-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.75
Rot. Bonds6

About 4-(butylcarbamoylamino)-N-propan-2-ylbenzamide

4-(butylcarbamoylamino)-N-propan-2-ylbenzamide (PubChem CID 17180623) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(butylcarbamoylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(butylcarbamoylamino)-N-propan-2-ylbenzamide
PubChem CID17180623
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-(butylcarbamoylamino)-N-propan-2-ylbenzamide
SMILESCCCCNC(=O)Nc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-4-5-10-16-15(20)18-13-8-6-12(7-9-13)14(19)17-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,17,19)(H2,16,18,20)
InChIKeyZOCQGJKKXZZKTN-UHFFFAOYSA-N
XLogP2.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(heptylamino)-N-propan-2-ylbenzamide
CID 60935201
N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 119432618
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840779
1-(4-aminophenyl)-3-butylurea
CID 28785616
N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817609
N-[4-(tetradecylcarbamoylamino)phenyl]benzamide
CID 24820448
4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide
CID 62835672
4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
CID 16640627
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 17180586
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948
4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide
CID 70827674

Frequently Asked Questions

What is the IUPAC name of 4-(butylcarbamoylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(butylcarbamoylamino)-N-propan-2-ylbenzamide (CID 17180623) is 4-(butylcarbamoylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(butylcarbamoylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(butylcarbamoylamino)-N-propan-2-ylbenzamide is CCCCNC(=O)Nc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-(butylcarbamoylamino)-N-propan-2-ylbenzamide?
The InChIKey is ZOCQGJKKXZZKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-5-10-16-15(20)18-13-8-6-12(7-9-13)14(19)17-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,17,19)(H2,16,18,20).
What are the key properties of 4-(butylcarbamoylamino)-N-propan-2-ylbenzamide?
4-(butylcarbamoylamino)-N-propan-2-ylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylcarbamoylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 17180623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).