N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide

C17H26N2O4 — CID 119289128

IUPACN-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCOCCOc1ccc(C(C)NC(=O)C2CCCN2)cc1OC
InChIInChI=1S/C17H26N2O4/c1-12(19-17(20)14-5-4-8-18-14)13-6-7-15(16(11-13)22-3)23-10-9-21-2/h6-7,11-12,14,18H,4-5,8-10H2,1-3H3,(H,19,20)
InChIKeyHEHPRNFDZLZLCP-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.65
Rot. Bonds8

About N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide

N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 119289128) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID119289128
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCOCCOc1ccc(C(C)NC(=O)C2CCCN2)cc1OC
InChIInChI=1S/C17H26N2O4/c1-12(19-17(20)14-5-4-8-18-14)13-6-7-15(16(11-13)22-3)23-10-9-21-2/h6-7,11-12,14,18H,4-5,8-10H2,1-3H3,(H,19,20)
InChIKeyHEHPRNFDZLZLCP-UHFFFAOYSA-N
XLogP1.65
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212
N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119267767
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 43709599
(2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694031
(2S)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694047
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119287617
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119289106
N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280218
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439
1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea
CID 51128627
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81387712
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide (CID 119289128) is N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide is COCCOc1ccc(C(C)NC(=O)C2CCCN2)cc1OC.
What is the InChIKey of N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is HEHPRNFDZLZLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12(19-17(20)14-5-4-8-18-14)13-6-7-15(16(11-13)22-3)23-10-9-21-2/h6-7,11-12,14,18H,4-5,8-10H2,1-3H3,(H,19,20).
What are the key properties of N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide?
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119289128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).