4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide

C20H32N4O3 — CID 1379333

IUPAC4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cc(C(=O)NC[C@H]2CCCN2CC)c(OC)cc1N(C)C
InChIInChI=1S/C20H32N4O3/c1-6-19(25)22-16-11-15(18(27-5)12-17(16)23(3)4)20(26)21-13-14-9-8-10-24(14)7-2/h11-12,14H,6-10,13H2,1-5H3,(H,21,26)(H,22,25)/t14-/m1/s1
InChIKeyHFISOMDMTMMHBS-CQSZACIVSA-N
MW376.50 g/mol
LogP2.32
Rot. Bonds8

About 4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide

4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide (PubChem CID 1379333) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide
PubChem CID1379333
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cc(C(=O)NC[C@H]2CCCN2CC)c(OC)cc1N(C)C
InChIInChI=1S/C20H32N4O3/c1-6-19(25)22-16-11-15(18(27-5)12-17(16)23(3)4)20(26)21-13-14-9-8-10-24(14)7-2/h11-12,14H,6-10,13H2,1-5H3,(H,21,26)(H,22,25)/t14-/m1/s1
InChIKeyHFISOMDMTMMHBS-CQSZACIVSA-N
XLogP2.32
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2,4-dimethoxybenzamide
CID 12848761
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methoxy-2H-benzotriazole-5-carboxamide
CID 92973518
4-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
CID 165341550
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298
4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
CID 134543671
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[ethylsulfonyl(methyl)amino]-2-methoxybenzamide
CID 12848777
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-propylbenzamide
CID 15167693
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide
CID 135624031
N-[(1-ethylpyrrolidin-2-yl)methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide
CID 14528112
N-[(1-ethylazepan-2-yl)methyl]-6-methoxy-2H-benzotriazole-5-carboxamide
CID 67703253
4-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxybenzamide;hydrochloride
CID 77108201
5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide;hydrobromide
CID 46781582

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide?
The IUPAC name of 4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide (CID 1379333) is 4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide is CCC(=O)Nc1cc(C(=O)NC[C@H]2CCCN2CC)c(OC)cc1N(C)C.
What is the InChIKey of 4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide?
The InChIKey is HFISOMDMTMMHBS-CQSZACIVSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-6-19(25)22-16-11-15(18(27-5)12-17(16)23(3)4)20(26)21-13-14-9-8-10-24(14)7-2/h11-12,14H,6-10,13H2,1-5H3,(H,21,26)(H,22,25)/t14-/m1/s1.
What are the key properties of 4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide?
4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide has a molecular weight of 376.50 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-(propanoylamino)benzamide is sourced from PubChem (CID 1379333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).