2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C19H27N3O4 — CID 119711968

IUPAC2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1cc(NC(=O)CNCC2CC2)c(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C19H27N3O4/c1-25-16-9-14(19(24)22-7-3-4-8-22)15(10-17(16)26-2)21-18(23)12-20-11-13-5-6-13/h9-10,13,20H,3-8,11-12H2,1-2H3,(H,21,23)
InChIKeyCYXHCMOZDRIBNF-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.88
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 119711968) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID119711968
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1cc(NC(=O)CNCC2CC2)c(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C19H27N3O4/c1-25-16-9-14(19(24)22-7-3-4-8-22)15(10-17(16)26-2)21-18(23)12-20-11-13-5-6-13/h9-10,13,20H,3-8,11-12H2,1-2H3,(H,21,23)
InChIKeyCYXHCMOZDRIBNF-UHFFFAOYSA-N
XLogP1.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119711915
4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119283056
4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide
CID 120588220
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 166406023
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 55639621
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55640010
(2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283072
5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120620884
tert-butyl 3-[[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55639950
N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55639706
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55639592
(4,5-dimethoxy-2-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647359

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 119711968) is 2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide is COc1cc(NC(=O)CNCC2CC2)c(C(=O)N2CCCC2)cc1OC.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is CYXHCMOZDRIBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-25-16-9-14(19(24)22-7-3-4-8-22)15(10-17(16)26-2)21-18(23)12-20-11-13-5-6-13/h9-10,13,20H,3-8,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 361.44 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 119711968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).