N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide

C18H25N3O3 — CID 163352376

IUPACN-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide
SMILESCc1ccc(CNC(=O)CN2CCOC(C(=O)NC3CC3)C2)cc1
InChIInChI=1S/C18H25N3O3/c1-13-2-4-14(5-3-13)10-19-17(22)12-21-8-9-24-16(11-21)18(23)20-15-6-7-15/h2-5,15-16H,6-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyGGDZJWPUUNQJBO-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.59
Rot. Bonds6

About N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide

N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide (PubChem CID 163352376) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide
PubChem CID163352376
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide
SMILESCc1ccc(CNC(=O)CN2CCOC(C(=O)NC3CC3)C2)cc1
InChIInChI=1S/C18H25N3O3/c1-13-2-4-14(5-3-13)10-19-17(22)12-21-8-9-24-16(11-21)18(23)20-15-6-7-15/h2-5,15-16H,6-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyGGDZJWPUUNQJBO-UHFFFAOYSA-N
XLogP0.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 114395245
methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate
CID 78925882
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946
N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide
CID 155981047
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924667
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 56501460
N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 95554541
2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616915
N-(4-aminocyclohexyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride
CID 119477299
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046327
N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945749

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide (CID 163352376) is N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide is Cc1ccc(CNC(=O)CN2CCOC(C(=O)NC3CC3)C2)cc1.
What is the InChIKey of N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide?
The InChIKey is GGDZJWPUUNQJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-2-4-14(5-3-13)10-19-17(22)12-21-8-9-24-16(11-21)18(23)20-15-6-7-15/h2-5,15-16H,6-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide?
N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide is sourced from PubChem (CID 163352376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).