N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide

C20H29N3O3 — CID 46482976

IUPACN-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESO=C(CCCNC(=O)C1CC1)NCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H29N3O3/c24-19(7-4-10-21-20(25)17-8-9-17)22-15-18(16-5-2-1-3-6-16)23-11-13-26-14-12-23/h1-3,5-6,17-18H,4,7-15H2,(H,21,25)(H,22,24)
InChIKeyXECXRTNOKTXXCC-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.48
Rot. Bonds9

About N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 46482976) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID46482976
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESO=C(CCCNC(=O)C1CC1)NCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H29N3O3/c24-19(7-4-10-21-20(25)17-8-9-17)22-15-18(16-5-2-1-3-6-16)23-11-13-26-14-12-23/h1-3,5-6,17-18H,4,7-15H2,(H,21,25)(H,22,24)
InChIKeyXECXRTNOKTXXCC-UHFFFAOYSA-N
XLogP1.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide
CID 43057620
N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
CID 94799529
N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 52506860
3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119853222
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)cyclopropanecarboxamide
CID 16931690
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide
CID 119865964
N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide
CID 118792707
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 51630213
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide (CID 46482976) is N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide is O=C(CCCNC(=O)C1CC1)NCC(c1ccccc1)N1CCOCC1.
What is the InChIKey of N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is XECXRTNOKTXXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19(7-4-10-21-20(25)17-8-9-17)22-15-18(16-5-2-1-3-6-16)23-11-13-26-14-12-23/h1-3,5-6,17-18H,4,7-15H2,(H,21,25)(H,22,24).
What are the key properties of N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 46482976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).