N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide

C17H26N2O3 — CID 119816799

IUPACN-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
SMILESCOc1ccccc1C(CC(C)C)NC(=O)C1CNCCO1
InChIInChI=1S/C17H26N2O3/c1-12(2)10-14(13-6-4-5-7-15(13)21-3)19-17(20)16-11-18-8-9-22-16/h4-7,12,14,16,18H,8-11H2,1-3H3,(H,19,20)
InChIKeyJGHWOXVMKGNSCN-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.89
Rot. Bonds6

About N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide

N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide (PubChem CID 119816799) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
PubChem CID119816799
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
SMILESCOc1ccccc1C(CC(C)C)NC(=O)C1CNCCO1
InChIInChI=1S/C17H26N2O3/c1-12(2)10-14(13-6-4-5-7-15(13)21-3)19-17(20)16-11-18-8-9-22-16/h4-7,12,14,16,18H,8-11H2,1-3H3,(H,19,20)
InChIKeyJGHWOXVMKGNSCN-UHFFFAOYSA-N
XLogP1.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
CID 119812339
N-[1-(2-ethoxyphenyl)propyl]morpholine-2-carboxamide
CID 119721402
N-[2-methyl-1-(2-methylphenyl)propyl]morpholine-2-carboxamide
CID 119782789
(2S)-N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-2-carboxamide
CID 124687547
N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide
CID 146426620
2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
CID 110016070
N-[1-(2-methylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686063
N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide
CID 119776294
N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
CID 119816785
N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119784414
N-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 129393193

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide (CID 119816799) is N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide is COc1ccccc1C(CC(C)C)NC(=O)C1CNCCO1.
What is the InChIKey of N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide?
The InChIKey is JGHWOXVMKGNSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)10-14(13-6-4-5-7-15(13)21-3)19-17(20)16-11-18-8-9-22-16/h4-7,12,14,16,18H,8-11H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide?
N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide is sourced from PubChem (CID 119816799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).