N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide

C18H24N2O3 — CID 110604977

IUPACN-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide
SMILESCC1COCCN1C(=O)c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C18H24N2O3/c1-13-12-23-11-10-20(13)18(22)15-6-8-16(9-7-15)19-17(21)14-4-2-3-5-14/h6-9,13-14H,2-5,10-12H2,1H3,(H,19,21)
InChIKeyDFLQCSKTMMQLQR-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.68
Rot. Bonds3

About N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide

N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide (PubChem CID 110604977) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide
PubChem CID110604977
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide
SMILESCC1COCCN1C(=O)c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C18H24N2O3/c1-13-12-23-11-10-20(13)18(22)15-6-8-16(9-7-15)19-17(21)14-4-2-3-5-14/h6-9,13-14H,2-5,10-12H2,1H3,(H,19,21)
InChIKeyDFLQCSKTMMQLQR-UHFFFAOYSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea
CID 110614358
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 47174328
1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110614359
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide
CID 110352360
1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110671803
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
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
2-(4-chlorophenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352615
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110619227
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 110352618
4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine
CID 110352653

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide (CID 110604977) is N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide is CC1COCCN1C(=O)c1ccc(NC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide?
The InChIKey is DFLQCSKTMMQLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-12-23-11-10-20(13)18(22)15-6-8-16(9-7-15)19-17(21)14-4-2-3-5-14/h6-9,13-14H,2-5,10-12H2,1H3,(H,19,21).
What are the key properties of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide?
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 110604977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).