cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide

C19H28ClNO3 — CID 100716342

IUPACcis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@]1(C(=O)Nc2ccc(OCC)c(Cl)c2)CCC[C@@H](C)C1
InChIInChI=1S/C19H28ClNO3/c1-4-11-24-19(10-6-7-14(3)13-19)18(22)21-15-8-9-17(23-5-2)16(20)12-15/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,21,22)/t14-,19-/m1/s1
InChIKeyDNPUBHADKCNNSB-AUUYWEPGSA-N
MW353.89 g/mol
LogP5.05
Rot. Bonds7

About cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide

cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide (PubChem CID 100716342) has the molecular formula C19H28ClNO3 and a molecular weight of 353.89 g/mol. Its IUPAC name is cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
PubChem CID100716342
Molecular FormulaC19H28ClNO3
Molecular Weight353.89 g/mol
Exact Mass353.18
IUPAC Namecis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@]1(C(=O)Nc2ccc(OCC)c(Cl)c2)CCC[C@@H](C)C1
InChIInChI=1S/C19H28ClNO3/c1-4-11-24-19(10-6-7-14(3)13-19)18(22)21-15-8-9-17(23-5-2)16(20)12-15/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,21,22)/t14-,19-/m1/s1
InChIKeyDNPUBHADKCNNSB-AUUYWEPGSA-N
XLogP5.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.89
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733931
N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133246423
trans-(1S,3R)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733839
N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712883
trans-(1R,3S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707699
ethyl 5-[[(1S,3S)-3-methyl-1-propoxycyclohexanecarbonyl]amino]-2-propoxybenzoate
CID 100767818
1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 133246838
cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 100733208
cis-(1R,3R)-N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733808
trans-(1R,3S)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 125061366
cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100714327
trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778455

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide (CID 100716342) is cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide is CCCO[C@]1(C(=O)Nc2ccc(OCC)c(Cl)c2)CCC[C@@H](C)C1.
What is the InChIKey of cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The InChIKey is DNPUBHADKCNNSB-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H28ClNO3/c1-4-11-24-19(10-6-7-14(3)13-19)18(22)21-15-8-9-17(23-5-2)16(20)12-15/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,21,22)/t14-,19-/m1/s1.
What are the key properties of cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide has a molecular weight of 353.89 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 100716342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).