N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide

C17H23N3O4 — CID 119755679

IUPACN-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)C1CNCCO1
InChIInChI=1S/C17H23N3O4/c1-23-14-5-4-12(17(22)20-7-2-3-8-20)10-13(14)19-16(21)15-11-18-6-9-24-15/h4-5,10,15,18H,2-3,6-9,11H2,1H3,(H,19,21)
InChIKeyCRMMCTLRPHLMJU-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.86
Rot. Bonds4

About N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide

N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide (PubChem CID 119755679) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide
PubChem CID119755679
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)C1CNCCO1
InChIInChI=1S/C17H23N3O4/c1-23-14-5-4-12(17(22)20-7-2-3-8-20)10-13(14)19-16(21)15-11-18-6-9-24-15/h4-5,10,15,18H,2-3,6-9,11H2,1H3,(H,19,21)
InChIKeyCRMMCTLRPHLMJU-UHFFFAOYSA-N
XLogP0.86
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119307348
N-(2,5-dimethoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674283
N-(2,4,5-trimethoxyphenyl)morpholine-2-carboxamide
CID 119808138
N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119729353
N-(4-methoxy-2,3-dimethylphenyl)morpholine-2-carboxamide
CID 115177389
(2S,4S)-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-methyloxane-2-carboxamide
CID 126810048
N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide
CID 119753458
methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate
CID 119748523
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119866736
2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182807
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
N-(4,5-dimethoxy-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679112

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide (CID 119755679) is N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide is COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C1CNCCO1.
What is the InChIKey of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide?
The InChIKey is CRMMCTLRPHLMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-23-14-5-4-12(17(22)20-7-2-3-8-20)10-13(14)19-16(21)15-11-18-6-9-24-15/h4-5,10,15,18H,2-3,6-9,11H2,1H3,(H,19,21).
What are the key properties of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide?
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119755679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).