3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide

C20H31N3O3 — CID 119865297

IUPAC3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCc2cccc(OCCN3CCOCC3)c2)C1
InChIInChI=1S/C20H31N3O3/c21-18-5-2-4-17(14-18)20(24)22-15-16-3-1-6-19(13-16)26-12-9-23-7-10-25-11-8-23/h1,3,6,13,17-18H,2,4-5,7-12,14-15,21H2,(H,22,24)
InChIKeyALXMKSVLTMLFHE-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.53
Rot. Bonds7

About 3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide

3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 119865297) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID119865297
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCc2cccc(OCCN3CCOCC3)c2)C1
InChIInChI=1S/C20H31N3O3/c21-18-5-2-4-17(14-18)20(24)22-15-16-3-1-6-19(13-16)26-12-9-23-7-10-25-11-8-23/h1,3,6,13,17-18H,2,4-5,7-12,14-15,21H2,(H,22,24)
InChIKeyALXMKSVLTMLFHE-UHFFFAOYSA-N
XLogP1.53
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723309
2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22680140
(3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 52819283
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119732512
3-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119867333
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide
CID 119865335
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119865223
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
ethyl 1-[N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993366

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide (CID 119865297) is 3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCc2cccc(OCCN3CCOCC3)c2)C1.
What is the InChIKey of 3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is ALXMKSVLTMLFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c21-18-5-2-4-17(14-18)20(24)22-15-16-3-1-6-19(13-16)26-12-9-23-7-10-25-11-8-23/h1,3,6,13,17-18H,2,4-5,7-12,14-15,21H2,(H,22,24).
What are the key properties of 3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119865297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).