4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide

C19H29N3O2 — CID 70892650

IUPAC4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
SMILESC[C@@H]1CN(c2ccc(NC(=O)C3CCC(N)CC3)cc2)C[C@H](C)O1
InChIInChI=1S/C19H29N3O2/c1-13-11-22(12-14(2)24-13)18-9-7-17(8-10-18)21-19(23)15-3-5-16(20)6-4-15/h7-10,13-16H,3-6,11-12,20H2,1-2H3,(H,21,23)/t13-,14+,15?,16?
InChIKeyJTSMJOVDPMFBGL-PJPHBNEVSA-N
MW331.46 g/mol
LogP2.76
Rot. Bonds3

About 4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide

4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide (PubChem CID 70892650) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
PubChem CID70892650
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
SMILESC[C@@H]1CN(c2ccc(NC(=O)C3CCC(N)CC3)cc2)C[C@H](C)O1
InChIInChI=1S/C19H29N3O2/c1-13-11-22(12-14(2)24-13)18-9-7-17(8-10-18)21-19(23)15-3-5-16(20)6-4-15/h7-10,13-16H,3-6,11-12,20H2,1-2H3,(H,21,23)/t13-,14+,15?,16?
InChIKeyJTSMJOVDPMFBGL-PJPHBNEVSA-N
XLogP2.76
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(butan-2-ylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
CID 58958368
N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline
CID 59231299
1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
CID 94336075
N-[4-[(2S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(hexan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 59582609
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea
CID 49283001
4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide
CID 106911851
4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 60847909
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
4-[2-cyano-5-(trifluoromethyl)phenoxy]-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
CID 68607021
3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119845961
O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate
CID 6934493
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]thiomorpholine-4-carboxamide
CID 95302613

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide (CID 70892650) is 4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide is C[C@@H]1CN(c2ccc(NC(=O)C3CCC(N)CC3)cc2)C[C@H](C)O1.
What is the InChIKey of 4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is JTSMJOVDPMFBGL-PJPHBNEVSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13-11-22(12-14(2)24-13)18-9-7-17(8-10-18)21-19(23)15-3-5-16(20)6-4-15/h7-10,13-16H,3-6,11-12,20H2,1-2H3,(H,21,23)/t13-,14+,15?,16?.
What are the key properties of 4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide?
4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 70892650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).