methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate

C14H20N2O3 — CID 106594042

IUPACmethyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC2CCC(O)CC2)cc1
InChIInChI=1S/C14H20N2O3/c1-19-14(18)16-12-4-2-10(3-5-12)15-11-6-8-13(17)9-7-11/h2-5,11,13,15,17H,6-9H2,1H3,(H,16,18)
InChIKeyIFDNXRVVFLIPMQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.58
Rot. Bonds3

About methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate

methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate (PubChem CID 106594042) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
PubChem CID106594042
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC2CCC(O)CC2)cc1
InChIInChI=1S/C14H20N2O3/c1-19-14(18)16-12-4-2-10(3-5-12)15-11-6-8-13(17)9-7-11/h2-5,11,13,15,17H,6-9H2,1H3,(H,16,18)
InChIKeyIFDNXRVVFLIPMQ-UHFFFAOYSA-N
XLogP2.58
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-(cyclooctylamino)phenyl]carbamate
CID 43730245
methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate
CID 43730246
methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870398
4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol
CID 106594080
methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate
CID 62980774
N-[4-[(4-hydroxycyclohexyl)amino]-2-methoxyphenyl]acetamide
CID 106593678
[4-(cyclopropylamino)phenyl]urea
CID 103439135
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
methyl 2-fluoro-5-[(4-hydroxycyclohexyl)amino]benzoate
CID 106593918
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
CID 112979959
methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
CID 43788003
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
CID 113024495

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate (CID 106594042) is methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate is COC(=O)Nc1ccc(NC2CCC(O)CC2)cc1.
What is the InChIKey of methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate?
The InChIKey is IFDNXRVVFLIPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-14(18)16-12-4-2-10(3-5-12)15-11-6-8-13(17)9-7-11/h2-5,11,13,15,17H,6-9H2,1H3,(H,16,18).
What are the key properties of methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate?
methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate is sourced from PubChem (CID 106594042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).