N-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide

C20H26N2O3 — CID 167763725

IUPACN-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)N1CCOCC1CC1CCC1
InChIInChI=1S/C20H26N2O3/c1-2-19(23)21-18-9-4-3-8-16(18)13-20(24)22-10-11-25-14-17(22)12-15-6-5-7-15/h2-4,8-9,15,17H,1,5-7,10-14H2,(H,21,23)
InChIKeyKQVCVXGKOZQYEQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.77
Rot. Bonds6

About N-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide

N-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 167763725) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID167763725
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)N1CCOCC1CC1CCC1
InChIInChI=1S/C20H26N2O3/c1-2-19(23)21-18-9-4-3-8-16(18)13-20(24)22-10-11-25-14-17(22)12-15-6-5-7-15/h2-4,8-9,15,17H,1,5-7,10-14H2,(H,21,23)
InChIKeyKQVCVXGKOZQYEQ-UHFFFAOYSA-N
XLogP2.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166420101
N-[2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420879
N,N-dimethyl-1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 166420126
3-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 136566373
N-[2-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide
CID 166420866
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
(4R)-4-[2-[(3R)-3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]oxolan-2-one
CID 125419823
N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420720
1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
CID 136567968
1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one
CID 136567969
N-(cyclohexylmethyl)-2-methyl-2-[[2-[2-(prop-2-enoylamino)phenyl]acetyl]amino]propanamide
CID 166420750
1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one
CID 14320533

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide (CID 167763725) is N-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1CC(=O)N1CCOCC1CC1CCC1.
What is the InChIKey of N-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is KQVCVXGKOZQYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-19(23)21-18-9-4-3-8-16(18)13-20(24)22-10-11-25-14-17(22)12-15-6-5-7-15/h2-4,8-9,15,17H,1,5-7,10-14H2,(H,21,23).
What are the key properties of N-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide?
N-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 342.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 167763725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).