(1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide

C20H29FN2O3 — CID 155504602

IUPAC(1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC[C@H]1N
InChIInChI=1S/C20H29FN2O3/c1-25-18-11-14(5-6-17(18)22)19(24)23-13-20(7-9-26-10-8-20)15-3-2-4-16(21)12-15/h2-4,12,14,17-18H,5-11,13,22H2,1H3,(H,23,24)/t14-,17+,18+/m0/s1
InChIKeyOLXJVCRXLNIABQ-BMGDILEWSA-N
MW364.46 g/mol
LogP2.13
Rot. Bonds5

About (1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide

(1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide (PubChem CID 155504602) has the molecular formula C20H29FN2O3 and a molecular weight of 364.46 g/mol. Its IUPAC name is (1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide
PubChem CID155504602
Molecular FormulaC20H29FN2O3
Molecular Weight364.46 g/mol
Exact Mass364.22
IUPAC Name(1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC[C@H]1N
InChIInChI=1S/C20H29FN2O3/c1-25-18-11-14(5-6-17(18)22)19(24)23-13-20(7-9-26-10-8-20)15-3-2-4-16(21)12-15/h2-4,12,14,17-18H,5-11,13,22H2,1H3,(H,23,24)/t14-,17+,18+/m0/s1
InChIKeyOLXJVCRXLNIABQ-BMGDILEWSA-N
XLogP2.13
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide with MolForge

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Related Compounds

(1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride
CID 163333661
(4aR,6S,8aR)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide
CID 155503313
3-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119799668
3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119749889
(3R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97132822
3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154906936
3-amino-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]cyclohexane-1-carboxamide
CID 119749716
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide
CID 175658431
(4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125157021
cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 99779324

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide (CID 155504602) is (1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide is CO[C@@H]1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC[C@H]1N.
What is the InChIKey of (1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide?
The InChIKey is OLXJVCRXLNIABQ-BMGDILEWSA-N. The full InChI is InChI=1S/C20H29FN2O3/c1-25-18-11-14(5-6-17(18)22)19(24)23-13-20(7-9-26-10-8-20)15-3-2-4-16(21)12-15/h2-4,12,14,17-18H,5-11,13,22H2,1H3,(H,23,24)/t14-,17+,18+/m0/s1.
What are the key properties of (1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide?
(1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide has a molecular weight of 364.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 155504602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).