2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide

C19H31N3O — CID 119536338

IUPAC2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1c(NC(C)C(C)C)cccc1C(=O)NCCC1CCNC1
InChIInChI=1S/C19H31N3O/c1-13(2)15(4)22-18-7-5-6-17(14(18)3)19(23)21-11-9-16-8-10-20-12-16/h5-7,13,15-16,20,22H,8-12H2,1-4H3,(H,21,23)
InChIKeySPYCMNINYONORV-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.18
Rot. Bonds7

About 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide

2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119536338) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119536338
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1c(NC(C)C(C)C)cccc1C(=O)NCCC1CCNC1
InChIInChI=1S/C19H31N3O/c1-13(2)15(4)22-18-7-5-6-17(14(18)3)19(23)21-11-9-16-8-10-20-12-16/h5-7,13,15-16,20,22H,8-12H2,1-4H3,(H,21,23)
InChIKeySPYCMNINYONORV-UHFFFAOYSA-N
XLogP3.18
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
CID 119557753
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 120945658
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536326
N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119407414
2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119432416
2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
CID 119537626
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide
CID 120602087
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide
CID 63628731
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 81479636

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119536338) is 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide is Cc1c(NC(C)C(C)C)cccc1C(=O)NCCC1CCNC1.
What is the InChIKey of 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is SPYCMNINYONORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-13(2)15(4)22-18-7-5-6-17(14(18)3)19(23)21-11-9-16-8-10-20-12-16/h5-7,13,15-16,20,22H,8-12H2,1-4H3,(H,21,23).
What are the key properties of 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide?
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 317.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119536338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).