N-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide

C20H29N3O3 — CID 42218984

IUPACN-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NC[C@@H](c2cccn2C)N(C)C)cc1OCC
InChIInChI=1S/C20H29N3O3/c1-6-25-18-11-10-15(13-19(18)26-7-2)20(24)21-14-17(22(3)4)16-9-8-12-23(16)5/h8-13,17H,6-7,14H2,1-5H3,(H,21,24)/t17-/m0/s1
InChIKeyMUEAYZGBKDGVPB-KRWDZBQOSA-N
MW359.47 g/mol
LogP2.86
Rot. Bonds9

About N-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide

N-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide (PubChem CID 42218984) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide
PubChem CID42218984
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NC[C@@H](c2cccn2C)N(C)C)cc1OCC
InChIInChI=1S/C20H29N3O3/c1-6-25-18-11-10-15(13-19(18)26-7-2)20(24)21-14-17(22(3)4)16-9-8-12-23(16)5/h8-13,17H,6-7,14H2,1-5H3,(H,21,24)/t17-/m0/s1
InChIKeyMUEAYZGBKDGVPB-KRWDZBQOSA-N
XLogP2.86
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 42219112
N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
CID 51166343
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3,4-diethoxybenzamide
CID 7495926
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709
4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 90496212
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 46522678
2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid
CID 119179703
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 93486036
N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide
CID 24649811
2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 95982468

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide (CID 42218984) is N-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NC[C@@H](c2cccn2C)N(C)C)cc1OCC.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide?
The InChIKey is MUEAYZGBKDGVPB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-6-25-18-11-10-15(13-19(18)26-7-2)20(24)21-14-17(22(3)4)16-9-8-12-23(16)5/h8-13,17H,6-7,14H2,1-5H3,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide?
N-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide has a molecular weight of 359.47 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 42218984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).