N-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide

C17H27N3O — CID 79538042

IUPACN-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide
SMILESCCNC(=O)c1ccc(C)c(NC(C)CC2CCCN2)c1
InChIInChI=1S/C17H27N3O/c1-4-18-17(21)14-8-7-12(2)16(11-14)20-13(3)10-15-6-5-9-19-15/h7-8,11,13,15,19-20H,4-6,9-10H2,1-3H3,(H,18,21)
InChIKeyYCEKAQLWCJSILY-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.69
Rot. Bonds6

About N-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide

N-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide (PubChem CID 79538042) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide
PubChem CID79538042
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide
SMILESCCNC(=O)c1ccc(C)c(NC(C)CC2CCCN2)c1
InChIInChI=1S/C17H27N3O/c1-4-18-17(21)14-8-7-12(2)16(11-14)20-13(3)10-15-6-5-9-19-15/h7-8,11,13,15,19-20H,4-6,9-10H2,1-3H3,(H,18,21)
InChIKeyYCEKAQLWCJSILY-UHFFFAOYSA-N
XLogP2.69
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide
CID 79541051
4-[1-(azepan-2-yl)propan-2-ylamino]-3-methylbenzoic acid
CID 79541323
3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide
CID 64918833
2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol
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N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
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N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide
CID 79540902
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 81292262
3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 81472136
4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 55084346
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
N,4-dimethyl-3-(piperidin-2-ylmethylamino)benzamide
CID 106633432

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide?
The IUPAC name of N-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide (CID 79538042) is N-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide.
What is the SMILES notation for N-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide?
The canonical SMILES for N-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide is CCNC(=O)c1ccc(C)c(NC(C)CC2CCCN2)c1.
What is the InChIKey of N-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide?
The InChIKey is YCEKAQLWCJSILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-18-17(21)14-8-7-12(2)16(11-14)20-13(3)10-15-6-5-9-19-15/h7-8,11,13,15,19-20H,4-6,9-10H2,1-3H3,(H,18,21).
What are the key properties of N-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide?
N-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide is sourced from PubChem (CID 79538042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).