N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide

C17H26N2O4 — CID 119721184

IUPACN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2COCCN2)ccc1OC(C)C
InChIInChI=1S/C17H26N2O4/c1-11(2)23-15-6-5-13(9-16(15)21-4)12(3)19-17(20)14-10-22-8-7-18-14/h5-6,9,11-12,14,18H,7-8,10H2,1-4H3,(H,19,20)
InChIKeyKCWHWLSYDOMUTF-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.65
Rot. Bonds6

About N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide

N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide (PubChem CID 119721184) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide
PubChem CID119721184
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2COCCN2)ccc1OC(C)C
InChIInChI=1S/C17H26N2O4/c1-11(2)23-15-6-5-13(9-16(15)21-4)12(3)19-17(20)14-10-22-8-7-18-14/h5-6,9,11-12,14,18H,7-8,10H2,1-4H3,(H,19,20)
InChIKeyKCWHWLSYDOMUTF-UHFFFAOYSA-N
XLogP1.65
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]morpholine-3-carboxamide
CID 119721132
(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide
CID 16681349
2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 78864734
(3S)-N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]morpholine-3-carboxamide
CID 129414950
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119289128
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-(4-methoxy-2,3-dimethylphenyl)morpholine-3-carboxamide
CID 115177555
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212
N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119287489

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide?
The IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide (CID 119721184) is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide is COc1cc(C(C)NC(=O)C2COCCN2)ccc1OC(C)C.
What is the InChIKey of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide?
The InChIKey is KCWHWLSYDOMUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11(2)23-15-6-5-13(9-16(15)21-4)12(3)19-17(20)14-10-22-8-7-18-14/h5-6,9,11-12,14,18H,7-8,10H2,1-4H3,(H,19,20).
What are the key properties of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide?
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 119721184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).