N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide

C17H25N3O2 — CID 47033628

IUPACN-[3-(cycloheptylcarbamoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-2-16(21)18-14-10-7-11-15(12-14)20-17(22)19-13-8-5-3-4-6-9-13/h7,10-13H,2-6,8-9H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyGCGDCHQKUGFYDB-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.88
Rot. Bonds4

About N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide

N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide (PubChem CID 47033628) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(cycloheptylcarbamoylamino)phenyl]propanamide
PubChem CID47033628
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[3-(cycloheptylcarbamoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-2-16(21)18-14-10-7-11-15(12-14)20-17(22)19-13-8-5-3-4-6-9-13/h7,10-13H,2-6,8-9H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyGCGDCHQKUGFYDB-UHFFFAOYSA-N
XLogP3.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170
1-cyclododecyl-3-(3-methylsulfanylphenyl)urea
CID 17087586
1-(3-tert-butylphenyl)-3-cyclopentylurea
CID 58646048
1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
CID 61339811
2-chloro-N-cyclohexyl-5-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833292
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54833099
[3-(cyclododecylcarbamoylamino)phenyl] acetate
CID 108865173
[3-(cycloheptylcarbamoylamino)phenyl] acetate
CID 108865301
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209

Frequently Asked Questions

What is the IUPAC name of N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide?
The IUPAC name of N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide (CID 47033628) is N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide?
The InChIKey is GCGDCHQKUGFYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-16(21)18-14-10-7-11-15(12-14)20-17(22)19-13-8-5-3-4-6-9-13/h7,10-13H,2-6,8-9H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide?
N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide has a molecular weight of 303.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 47033628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).