3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide

C25H33N3O3 — CID 30889082

IUPAC3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide
SMILESC[C@H]1CN(C(C)(C)CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C[C@H](C)O1
InChIInChI=1S/C25H33N3O3/c1-16-13-28(14-17(2)31-16)25(3,4)15-26-24(30)21-11-19-7-5-6-8-20(19)12-22(21)27-23(29)18-9-10-18/h5-8,11-12,16-18H,9-10,13-15H2,1-4H3,(H,26,30)(H,27,29)/t16-,17-/m0/s1
InChIKeyGGNCAZNPJDDHNB-IRXDYDNUSA-N
MW423.56 g/mol
LogP3.81
Rot. Bonds6

About 3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide

3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide (PubChem CID 30889082) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide
PubChem CID30889082
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide
SMILESC[C@H]1CN(C(C)(C)CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C[C@H](C)O1
InChIInChI=1S/C25H33N3O3/c1-16-13-28(14-17(2)31-16)25(3,4)15-26-24(30)21-11-19-7-5-6-8-20(19)12-22(21)27-23(29)18-9-10-18/h5-8,11-12,16-18H,9-10,13-15H2,1-4H3,(H,26,30)(H,27,29)/t16-,17-/m0/s1
InChIKeyGGNCAZNPJDDHNB-IRXDYDNUSA-N
XLogP3.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide
CID 47012254
3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide
CID 110886656
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide
CID 29299185
3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide
CID 166393096
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide
CID 29299383
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 47020165
3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide
CID 24595212
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302140
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302135
2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 29303216
3-(cyclopropanecarbonylamino)-N-(3-methyl-2-morpholin-4-ylbutyl)naphthalene-2-carboxamide
CID 55519412
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-2-carboxamide
CID 29297646

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide (CID 30889082) is 3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide is C[C@H]1CN(C(C)(C)CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C[C@H](C)O1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide?
The InChIKey is GGNCAZNPJDDHNB-IRXDYDNUSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-16-13-28(14-17(2)31-16)25(3,4)15-26-24(30)21-11-19-7-5-6-8-20(19)12-22(21)27-23(29)18-9-10-18/h5-8,11-12,16-18H,9-10,13-15H2,1-4H3,(H,26,30)(H,27,29)/t16-,17-/m0/s1.
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 30889082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).