(3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide

C16H25N3O2 — CID 97055241

IUPAC(3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide
SMILESCC(C)Nc1cccc(CNC(=O)N2CCOC[C@@H]2C)c1
InChIInChI=1S/C16H25N3O2/c1-12(2)18-15-6-4-5-14(9-15)10-17-16(20)19-7-8-21-11-13(19)3/h4-6,9,12-13,18H,7-8,10-11H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyYXOXYNFFNIQPMN-ZDUSSCGKSA-N
MW291.40 g/mol
LogP2.44
Rot. Bonds4

About (3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide

(3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 97055241) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide
PubChem CID97055241
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide
SMILESCC(C)Nc1cccc(CNC(=O)N2CCOC[C@@H]2C)c1
InChIInChI=1S/C16H25N3O2/c1-12(2)18-15-6-4-5-14(9-15)10-17-16(20)19-7-8-21-11-13(19)3/h4-6,9,12-13,18H,7-8,10-11H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyYXOXYNFFNIQPMN-ZDUSSCGKSA-N
XLogP2.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide (CID 97055241) is (3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide is CC(C)Nc1cccc(CNC(=O)N2CCOC[C@@H]2C)c1.
What is the InChIKey of (3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is YXOXYNFFNIQPMN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)18-15-6-4-5-14(9-15)10-17-16(20)19-7-8-21-11-13(19)3/h4-6,9,12-13,18H,7-8,10-11H2,1-3H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide?
(3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 97055241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).