N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

C19H31N3O2 — CID 111438226

IUPACN-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCCN(CCNC(=O)N1CCC(C(C)O)CC1)c1ccccc1C
InChIInChI=1S/C19H31N3O2/c1-4-21(18-8-6-5-7-15(18)2)14-11-20-19(24)22-12-9-17(10-13-22)16(3)23/h5-8,16-17,23H,4,9-14H2,1-3H3,(H,20,24)
InChIKeyKRELWJRYGDDTHX-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.62
Rot. Bonds6

About N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111438226) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111438226
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCCN(CCNC(=O)N1CCC(C(C)O)CC1)c1ccccc1C
InChIInChI=1S/C19H31N3O2/c1-4-21(18-8-6-5-7-15(18)2)14-11-20-19(24)22-12-9-17(10-13-22)16(3)23/h5-8,16-17,23H,4,9-14H2,1-3H3,(H,20,24)
InChIKeyKRELWJRYGDDTHX-UHFFFAOYSA-N
XLogP2.62
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide
CID 55873731
3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503065
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119853428
4-(1-hydroxyethyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438064
4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 111437840
N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119853418
1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 112827008
4-(1-hydroxyethyl)-N-(2-methyl-2-phenylpropyl)piperidine-1-carboxamide
CID 111438231
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
(2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide
CID 120798364
N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119853410
1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111929461

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111438226) is N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is CCN(CCNC(=O)N1CCC(C(C)O)CC1)c1ccccc1C.
What is the InChIKey of N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is KRELWJRYGDDTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-21(18-8-6-5-7-15(18)2)14-11-20-19(24)22-12-9-17(10-13-22)16(3)23/h5-8,16-17,23H,4,9-14H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111438226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).