(3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide

C17H26N2O3 — CID 124682602

IUPAC(3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide
SMILESCC(C)CCOc1ccccc1CNC(=O)[C@@H]1COCCN1
InChIInChI=1S/C17H26N2O3/c1-13(2)7-9-22-16-6-4-3-5-14(16)11-19-17(20)15-12-21-10-8-18-15/h3-6,13,15,18H,7-12H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyXRMPGSXUAGBWOS-HNNXBMFYSA-N
MW306.41 g/mol
LogP1.72
Rot. Bonds7

About (3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide

(3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide (PubChem CID 124682602) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide
PubChem CID124682602
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide
SMILESCC(C)CCOc1ccccc1CNC(=O)[C@@H]1COCCN1
InChIInChI=1S/C17H26N2O3/c1-13(2)7-9-22-16-6-4-3-5-14(16)11-19-17(20)15-12-21-10-8-18-15/h3-6,13,15,18H,7-12H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyXRMPGSXUAGBWOS-HNNXBMFYSA-N
XLogP1.72
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-propan-2-yloxyphenyl)methyl]morpholine-3-carboxamide
CID 119707515
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide
CID 119811606
N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119777833
N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119708865
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide
CID 119816482
(3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide
CID 124595367
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119816481
N-[2-(2-fluorophenoxy)propyl]morpholine-3-carboxamide
CID 119804849
N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide
CID 119853743
N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119750954
N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of (3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide (CID 124682602) is (3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide is CC(C)CCOc1ccccc1CNC(=O)[C@@H]1COCCN1.
What is the InChIKey of (3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is XRMPGSXUAGBWOS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(2)7-9-22-16-6-4-3-5-14(16)11-19-17(20)15-12-21-10-8-18-15/h3-6,13,15,18H,7-12H2,1-2H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide?
(3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 124682602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).