N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide

C15H23N3O — CID 79540902

IUPACN-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide
SMILESCNC(=O)c1ccc(NC(C)CC2CCCN2)cc1
InChIInChI=1S/C15H23N3O/c1-11(10-14-4-3-9-17-14)18-13-7-5-12(6-8-13)15(19)16-2/h5-8,11,14,17-18H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyKJURDDFPDHNNBD-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.99
Rot. Bonds5

About N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide

N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide (PubChem CID 79540902) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide
PubChem CID79540902
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide
SMILESCNC(=O)c1ccc(NC(C)CC2CCCN2)cc1
InChIInChI=1S/C15H23N3O/c1-11(10-14-4-3-9-17-14)18-13-7-5-12(6-8-13)15(19)16-2/h5-8,11,14,17-18H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyKJURDDFPDHNNBD-UHFFFAOYSA-N
XLogP1.99
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-cyclopropylpropan-2-ylamino)-N-methylbenzamide
CID 113489746
2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537703
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate
CID 79537495
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376
4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile
CID 107788363
N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
CID 79549390
N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119740098
2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide
CID 79538614
2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol
CID 79538338
N-methyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43683632

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide?
The IUPAC name of N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide (CID 79540902) is N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide.
What is the SMILES notation for N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide?
The canonical SMILES for N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide is CNC(=O)c1ccc(NC(C)CC2CCCN2)cc1.
What is the InChIKey of N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide?
The InChIKey is KJURDDFPDHNNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(10-14-4-3-9-17-14)18-13-7-5-12(6-8-13)15(19)16-2/h5-8,11,14,17-18H,3-4,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide?
N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide is sourced from PubChem (CID 79540902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).