N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide

C22H27N3O2 — CID 24633033

IUPACN-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H27N3O2/c1-17-7-5-6-10-20(17)22(27)23-13-11-21(26)24-19-12-14-25(16-19)15-18-8-3-2-4-9-18/h2-10,19H,11-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyCUDIFAVPWFSGAP-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.51
Rot. Bonds7

About N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide

N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 24633033) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide
PubChem CID24633033
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H27N3O2/c1-17-7-5-6-10-20(17)22(27)23-13-11-21(26)24-19-12-14-25(16-19)15-18-8-3-2-4-9-18/h2-10,19H,11-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyCUDIFAVPWFSGAP-UHFFFAOYSA-N
XLogP2.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-(1-benzylpyrrolidin-3-yl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 55378288
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
N-[2-[(1-benzylpiperidin-4-yl)amino]ethyl]-2-methylbenzamide;bis(2,2,2-trifluoroacetic acid)
CID 25010779
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 110009371
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 46482174

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide (CID 24633033) is N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is CUDIFAVPWFSGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-7-5-6-10-20(17)22(27)23-13-11-21(26)24-19-12-14-25(16-19)15-18-8-3-2-4-9-18/h2-10,19H,11-16H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 365.48 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 24633033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).