4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide

C19H27F2N3O3 — CID 18146757

IUPAC4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H27F2N3O3/c20-18(21)27-16-10-8-14(9-11-16)13-23-17(25)7-4-12-22-19(26)24-15-5-2-1-3-6-15/h8-11,15,18H,1-7,12-13H2,(H,23,25)(H2,22,24,26)
InChIKeyJJWAVMWRBROXQE-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.32
Rot. Bonds9

About 4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide

4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide (PubChem CID 18146757) has the molecular formula C19H27F2N3O3 and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
PubChem CID18146757
Molecular FormulaC19H27F2N3O3
Molecular Weight383.44 g/mol
Exact Mass383.20
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H27F2N3O3/c20-18(21)27-16-10-8-14(9-11-16)13-23-17(25)7-4-12-22-19(26)24-15-5-2-1-3-6-15/h8-11,15,18H,1-7,12-13H2,(H,23,25)(H2,22,24,26)
InChIKeyJJWAVMWRBROXQE-UHFFFAOYSA-N
XLogP3.32
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.32
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-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 60515741
2-cyclopentyl-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 134029016
5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid
CID 60941319
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 18225712
2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 60703371
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549
7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride
CID 119689633
2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 95576076
1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
CID 108884395
4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide
CID 18152352
benzyl 2-[4-(cyclohexylcarbamoylamino)butanoylamino]acetate
CID 16614928

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide (CID 18146757) is 4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide is O=C(CCCNC(=O)NC1CCCCC1)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide?
The InChIKey is JJWAVMWRBROXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O3/c20-18(21)27-16-10-8-14(9-11-16)13-23-17(25)7-4-12-22-19(26)24-15-5-2-1-3-6-15/h8-11,15,18H,1-7,12-13H2,(H,23,25)(H2,22,24,26).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide?
4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide has a molecular weight of 383.44 g/mol, XLogP of 3.32, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 18146757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).