3-[4-(butylcarbamoylamino)phenyl]propanamide

C14H21N3O2 — CID 91054834

IUPAC3-[4-(butylcarbamoylamino)phenyl]propanamide
SMILESCCCCNC(=O)Nc1ccc(CCC(N)=O)cc1
InChIInChI=1S/C14H21N3O2/c1-2-3-10-16-14(19)17-12-7-4-11(5-8-12)6-9-13(15)18/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,15,18)(H2,16,17,19)
InChIKeyFYSOIJOTANAQTG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.03
Rot. Bonds7

About 3-[4-(butylcarbamoylamino)phenyl]propanamide

3-[4-(butylcarbamoylamino)phenyl]propanamide (PubChem CID 91054834) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[4-(butylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(butylcarbamoylamino)phenyl]propanamide
PubChem CID91054834
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[4-(butylcarbamoylamino)phenyl]propanamide
SMILESCCCCNC(=O)Nc1ccc(CCC(N)=O)cc1
InChIInChI=1S/C14H21N3O2/c1-2-3-10-16-14(19)17-12-7-4-11(5-8-12)6-9-13(15)18/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,15,18)(H2,16,17,19)
InChIKeyFYSOIJOTANAQTG-UHFFFAOYSA-N
XLogP2.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.03
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-[4-(butylcarbamoylamino)phenyl]butanoic acid
CID 68943734
1-(4-aminophenyl)-3-butylurea
CID 28785616
5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide
CID 106238546
1-(4-heptylphenyl)-3-propylurea
CID 142021842
1-(2-bromoethyl)-3-(4-heptylphenyl)urea
CID 86013146
1-(2-chloroethyl)-3-(4-decylphenyl)urea
CID 10382534
3-[4-[3-(methylamino)propylcarbamoylamino]phenyl]propanoic acid
CID 115340770
[4-[[4-(pentylcarbamoylamino)phenyl]methyl]phenyl]carbamic acid
CID 69144351
1-octadecyl-3-[4-[[4-(octadecylamino)phenyl]methyl]phenyl]urea
CID 176858089
4-[(4-butylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 80537856
4-(butylcarbamoylamino)benzenesulfonyl chloride
CID 2757350
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049

Frequently Asked Questions

What is the IUPAC name of 3-[4-(butylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-[4-(butylcarbamoylamino)phenyl]propanamide (CID 91054834) is 3-[4-(butylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-[4-(butylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-[4-(butylcarbamoylamino)phenyl]propanamide is CCCCNC(=O)Nc1ccc(CCC(N)=O)cc1.
What is the InChIKey of 3-[4-(butylcarbamoylamino)phenyl]propanamide?
The InChIKey is FYSOIJOTANAQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-3-10-16-14(19)17-12-7-4-11(5-8-12)6-9-13(15)18/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,15,18)(H2,16,17,19).
What are the key properties of 3-[4-(butylcarbamoylamino)phenyl]propanamide?
3-[4-(butylcarbamoylamino)phenyl]propanamide has a molecular weight of 263.34 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(butylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 91054834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).