[4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate

C20H31N3O3 — CID 173146859

IUPAC[4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate
SMILESNC(=O)Oc1ccc(NCCCNC(=O)CCCC2CCCCC2)cc1
InChIInChI=1S/C20H31N3O3/c21-20(25)26-18-12-10-17(11-13-18)22-14-5-15-23-19(24)9-4-8-16-6-2-1-3-7-16/h10-13,16,22H,1-9,14-15H2,(H2,21,25)(H,23,24)
InChIKeyUWRGZSMIJIMJKK-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.81
Rot. Bonds10

About [4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate

[4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate (PubChem CID 173146859) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is [4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate.

Molecular Properties

Compound Name[4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate
PubChem CID173146859
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name[4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate
SMILESNC(=O)Oc1ccc(NCCCNC(=O)CCCC2CCCCC2)cc1
InChIInChI=1S/C20H31N3O3/c21-20(25)26-18-12-10-17(11-13-18)22-14-5-15-23-19(24)9-4-8-16-6-2-1-3-7-16/h10-13,16,22H,1-9,14-15H2,(H2,21,25)(H,23,24)
InChIKeyUWRGZSMIJIMJKK-UHFFFAOYSA-N
XLogP3.81
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide
CID 173187310
N-(3-aminopropyl)-4-cyclopentylbutanamide
CID 119409090
3-(4-cyclohexylbutanoylamino)propanoic acid
CID 43241269
4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide
CID 70429171
N-(6-amino-3-pyridinyl)-4-cyclopentylbutanamide;hydrochloride
CID 119516594
6-(4-cyclopentylbutanoylamino)hexanoic acid
CID 119220158
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489
4-chloro-N-(3-cyclopentylpropyl)butanamide
CID 106009634
3-(4-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102913
N-(3-cyclopentylpropyl)-4-(propylamino)benzamide
CID 106015559
4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide
CID 154663741

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate?
The IUPAC name of [4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate (CID 173146859) is [4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate.
What is the SMILES notation for [4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate?
The canonical SMILES for [4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate is NC(=O)Oc1ccc(NCCCNC(=O)CCCC2CCCCC2)cc1.
What is the InChIKey of [4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate?
The InChIKey is UWRGZSMIJIMJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c21-20(25)26-18-12-10-17(11-13-18)22-14-5-15-23-19(24)9-4-8-16-6-2-1-3-7-16/h10-13,16,22H,1-9,14-15H2,(H2,21,25)(H,23,24).
What are the key properties of [4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate?
[4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate has a molecular weight of 361.49 g/mol, XLogP of 3.81, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate is sourced from PubChem (CID 173146859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).