benzyl(cyclohexylmethyl)carbamic acid

C15H21NO2 — CID 57063774

IUPACbenzyl(cyclohexylmethyl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)CC1CCCCC1
InChIInChI=1S/C15H21NO2/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,18)
InChIKeySSHNHXKPWPKABP-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.75
Rot. Bonds4

About benzyl(cyclohexylmethyl)carbamic acid

benzyl(cyclohexylmethyl)carbamic acid (PubChem CID 57063774) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is benzyl(cyclohexylmethyl)carbamic acid.

Molecular Properties

Compound Namebenzyl(cyclohexylmethyl)carbamic acid
PubChem CID57063774
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namebenzyl(cyclohexylmethyl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)CC1CCCCC1
InChIInChI=1S/C15H21NO2/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,18)
InChIKeySSHNHXKPWPKABP-UHFFFAOYSA-N
XLogP3.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide
CID 166403801
benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride
CID 67098710
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975549
1,1-dibenzyl-3-(cyclohexylmethyl)urea
CID 108902903
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
CID 119305505
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685289

Frequently Asked Questions

What is the IUPAC name of benzyl(cyclohexylmethyl)carbamic acid?
The IUPAC name of benzyl(cyclohexylmethyl)carbamic acid (CID 57063774) is benzyl(cyclohexylmethyl)carbamic acid.
What is the SMILES notation for benzyl(cyclohexylmethyl)carbamic acid?
The canonical SMILES for benzyl(cyclohexylmethyl)carbamic acid is O=C(O)N(Cc1ccccc1)CC1CCCCC1.
What is the InChIKey of benzyl(cyclohexylmethyl)carbamic acid?
The InChIKey is SSHNHXKPWPKABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,18).
What are the key properties of benzyl(cyclohexylmethyl)carbamic acid?
benzyl(cyclohexylmethyl)carbamic acid has a molecular weight of 247.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(cyclohexylmethyl)carbamic acid is sourced from PubChem (CID 57063774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).