(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

C18H27N3O3 — CID 95168046

IUPAC(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESCOCCOc1cccc(NC(=O)N2CC[C@H](N3CCCC3)C2)c1
InChIInChI=1S/C18H27N3O3/c1-23-11-12-24-17-6-4-5-15(13-17)19-18(22)21-10-7-16(14-21)20-8-2-3-9-20/h4-6,13,16H,2-3,7-12,14H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyRLXRKKCAKLMLFF-INIZCTEOSA-N
MW333.43 g/mol
LogP2.41
Rot. Bonds6

About (3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 95168046) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
PubChem CID95168046
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESCOCCOc1cccc(NC(=O)N2CC[C@H](N3CCCC3)C2)c1
InChIInChI=1S/C18H27N3O3/c1-23-11-12-24-17-6-4-5-15(13-17)19-18(22)21-10-7-16(14-21)20-8-2-3-9-20/h4-6,13,16H,2-3,7-12,14H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyRLXRKKCAKLMLFF-INIZCTEOSA-N
XLogP2.41
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 95592117
(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95167995
(3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide
CID 95572739
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide
CID 95297501
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 56800969
(3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95167997
N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 72931917
3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide
CID 72904447
3-hydroxy-N-(3-propoxyphenyl)piperidine-1-carboxamide
CID 47202480
N-[3-[2-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]ethoxy]phenyl]acetamide
CID 111727035

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (CID 95168046) is (3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is COCCOc1cccc(NC(=O)N2CC[C@H](N3CCCC3)C2)c1.
What is the InChIKey of (3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is RLXRKKCAKLMLFF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-23-11-12-24-17-6-4-5-15(13-17)19-18(22)21-10-7-16(14-21)20-8-2-3-9-20/h4-6,13,16H,2-3,7-12,14H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 95168046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).