N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide

C19H27N3O3 — CID 47025310

IUPACN-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(C)c1ccc(NC(=O)C2CC2)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C19H27N3O3/c1-13(20-14(2)19(24)22-9-11-25-12-10-22)15-5-7-17(8-6-15)21-18(23)16-3-4-16/h5-8,13-14,16,20H,3-4,9-12H2,1-2H3,(H,21,23)
InChIKeyFIVNUWFUAJRZLF-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.93
Rot. Bonds6

About N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 47025310) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID47025310
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(C)c1ccc(NC(=O)C2CC2)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C19H27N3O3/c1-13(20-14(2)19(24)22-9-11-25-12-10-22)15-5-7-17(8-6-15)21-18(23)16-3-4-16/h5-8,13-14,16,20H,3-4,9-12H2,1-2H3,(H,21,23)
InChIKeyFIVNUWFUAJRZLF-UHFFFAOYSA-N
XLogP1.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81347605
2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 47016534
1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 31778030
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 110347737
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 51936691
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide
CID 71940598
(3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide
CID 94110131
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide
CID 96510457
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide (CID 47025310) is N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide is CC(NC(C)c1ccc(NC(=O)C2CC2)cc1)C(=O)N1CCOCC1.
What is the InChIKey of N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is FIVNUWFUAJRZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13(20-14(2)19(24)22-9-11-25-12-10-22)15-5-7-17(8-6-15)21-18(23)16-3-4-16/h5-8,13-14,16,20H,3-4,9-12H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 47025310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).