N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide

C17H25N3O2 — CID 94066099

IUPACN-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide
SMILESC[C@@H](NC(=O)CC1CCCCC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C17H25N3O2/c1-12(14-7-9-15(10-8-14)20-17(18)22)19-16(21)11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,19,21)(H3,18,20,22)/t12-/m1/s1
InChIKeySKVJPDFCACUNCL-GFCCVEGCSA-N
MW303.41 g/mol
LogP3.32
Rot. Bonds5

About N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide

N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide (PubChem CID 94066099) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide
PubChem CID94066099
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide
SMILESC[C@@H](NC(=O)CC1CCCCC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C17H25N3O2/c1-12(14-7-9-15(10-8-14)20-17(18)22)19-16(21)11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,19,21)(H3,18,20,22)/t12-/m1/s1
InChIKeySKVJPDFCACUNCL-GFCCVEGCSA-N
XLogP3.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide
CID 103161396
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide
CID 119721978
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide
CID 62832500
2-cyclopentyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 134002861
N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide
CID 103165283
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide
CID 94066123
2-cyclopentyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 27811841
2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
CID 95282016
[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea
CID 80554120

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide?
The IUPAC name of N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide (CID 94066099) is N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide is C[C@@H](NC(=O)CC1CCCCC1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide?
The InChIKey is SKVJPDFCACUNCL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(14-7-9-15(10-8-14)20-17(18)22)19-16(21)11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,19,21)(H3,18,20,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide?
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide has a molecular weight of 303.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide is sourced from PubChem (CID 94066099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).