N-(2-phenylmethoxycyclohexyl)prop-2-enamide

C16H21NO2 — CID 139017249

IUPACN-(2-phenylmethoxycyclohexyl)prop-2-enamide
SMILESC=CC(=O)NC1CCCCC1OCc1ccccc1
InChIInChI=1S/C16H21NO2/c1-2-16(18)17-14-10-6-7-11-15(14)19-12-13-8-4-3-5-9-13/h2-5,8-9,14-15H,1,6-7,10-12H2,(H,17,18)
InChIKeyKOGMUQFDZKCLHK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.82
Rot. Bonds5

About N-(2-phenylmethoxycyclohexyl)prop-2-enamide

N-(2-phenylmethoxycyclohexyl)prop-2-enamide (PubChem CID 139017249) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-phenylmethoxycyclohexyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-phenylmethoxycyclohexyl)prop-2-enamide
PubChem CID139017249
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-(2-phenylmethoxycyclohexyl)prop-2-enamide
SMILESC=CC(=O)NC1CCCCC1OCc1ccccc1
InChIInChI=1S/C16H21NO2/c1-2-16(18)17-14-10-6-7-11-15(14)19-12-13-8-4-3-5-9-13/h2-5,8-9,14-15H,1,6-7,10-12H2,(H,17,18)
InChIKeyKOGMUQFDZKCLHK-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide
CID 101365257
1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine
CID 143473195
tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate
CID 58216148
trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate;tert-butyl N-[(1S)-2-phenylmethoxycyclohexyl]carbamate
CID 158364614
benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate
CID 144785907
N-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide
CID 146095230
(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 58651111
trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
CID 129030197
2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 21034227
2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide
CID 77080730
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxycyclohexyl)prop-2-enamide?
The IUPAC name of N-(2-phenylmethoxycyclohexyl)prop-2-enamide (CID 139017249) is N-(2-phenylmethoxycyclohexyl)prop-2-enamide.
What is the SMILES notation for N-(2-phenylmethoxycyclohexyl)prop-2-enamide?
The canonical SMILES for N-(2-phenylmethoxycyclohexyl)prop-2-enamide is C=CC(=O)NC1CCCCC1OCc1ccccc1.
What is the InChIKey of N-(2-phenylmethoxycyclohexyl)prop-2-enamide?
The InChIKey is KOGMUQFDZKCLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-16(18)17-14-10-6-7-11-15(14)19-12-13-8-4-3-5-9-13/h2-5,8-9,14-15H,1,6-7,10-12H2,(H,17,18).
What are the key properties of N-(2-phenylmethoxycyclohexyl)prop-2-enamide?
N-(2-phenylmethoxycyclohexyl)prop-2-enamide has a molecular weight of 259.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxycyclohexyl)prop-2-enamide is sourced from PubChem (CID 139017249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).