3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide

C18H26N2O2 — CID 51096915

IUPAC3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
SMILESCC(CC(=O)NCc1ccccc1N1CCOCC1)C1CC1
InChIInChI=1S/C18H26N2O2/c1-14(15-6-7-15)12-18(21)19-13-16-4-2-3-5-17(16)20-8-10-22-11-9-20/h2-5,14-15H,6-13H2,1H3,(H,19,21)
InChIKeyUZGNHJPKTAHNHL-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.58
Rot. Bonds6

About 3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide

3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide (PubChem CID 51096915) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
PubChem CID51096915
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
SMILESCC(CC(=O)NCc1ccccc1N1CCOCC1)C1CC1
InChIInChI=1S/C18H26N2O2/c1-14(15-6-7-15)12-18(21)19-13-16-4-2-3-5-17(16)20-8-10-22-11-9-20/h2-5,14-15H,6-13H2,1H3,(H,19,21)
InChIKeyUZGNHJPKTAHNHL-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
CID 75440397
4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide
CID 91466295
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide
CID 100613829
N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119853783
N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110445215
3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962818
(2S,5R)-5-(aminomethyl)-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 120798390
(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120633841
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 119853759
4-acetamido-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 47788856

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide?
The IUPAC name of 3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide (CID 51096915) is 3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide.
What is the SMILES notation for 3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide?
The canonical SMILES for 3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide is CC(CC(=O)NCc1ccccc1N1CCOCC1)C1CC1.
What is the InChIKey of 3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide?
The InChIKey is UZGNHJPKTAHNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14(15-6-7-15)12-18(21)19-13-16-4-2-3-5-17(16)20-8-10-22-11-9-20/h2-5,14-15H,6-13H2,1H3,(H,19,21).
What are the key properties of 3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide?
3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide has a molecular weight of 302.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide is sourced from PubChem (CID 51096915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).