N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide

C22H25N3O3 — CID 131939372

IUPACN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide
SMILESO=C(Cc1ccc(NC(=O)c2ccccc2N2CCOCC2)cc1)NC1CC1
InChIInChI=1S/C22H25N3O3/c26-21(23-17-9-10-17)15-16-5-7-18(8-6-16)24-22(27)19-3-1-2-4-20(19)25-11-13-28-14-12-25/h1-8,17H,9-15H2,(H,23,26)(H,24,27)
InChIKeyXPBYXTFZCDEMPI-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.60
Rot. Bonds6

About N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide

N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide (PubChem CID 131939372) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide
PubChem CID131939372
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide
SMILESO=C(Cc1ccc(NC(=O)c2ccccc2N2CCOCC2)cc1)NC1CC1
InChIInChI=1S/C22H25N3O3/c26-21(23-17-9-10-17)15-16-5-7-18(8-6-16)24-22(27)19-3-1-2-4-20(19)25-11-13-28-14-12-25/h1-8,17H,9-15H2,(H,23,26)(H,24,27)
InChIKeyXPBYXTFZCDEMPI-UHFFFAOYSA-N
XLogP2.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide
CID 91766122
N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide
CID 131937049
2-morpholin-4-ylbenzohydrazide
CID 7148386
N-cyclopropyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 46156025
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 131933853
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582
N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide
CID 46037987
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338642
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide
CID 133112648
N-phenyl-2-pyrrolidin-1-ylbenzamide
CID 168515905
N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylbenzamide
CID 131952544
N-(2-methoxyethyl)-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 42847988

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide (CID 131939372) is N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide is O=C(Cc1ccc(NC(=O)c2ccccc2N2CCOCC2)cc1)NC1CC1.
What is the InChIKey of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide?
The InChIKey is XPBYXTFZCDEMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-21(23-17-9-10-17)15-16-5-7-18(8-6-16)24-22(27)19-3-1-2-4-20(19)25-11-13-28-14-12-25/h1-8,17H,9-15H2,(H,23,26)(H,24,27).
What are the key properties of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide?
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide has a molecular weight of 379.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 131939372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).