N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide

C17H27N3O — CID 79179400

IUPACN-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide
SMILESCCNC(C)c1ccc(NC(=O)N2CC(C)C(C)C2)cc1
InChIInChI=1S/C17H27N3O/c1-5-18-14(4)15-6-8-16(9-7-15)19-17(21)20-10-12(2)13(3)11-20/h6-9,12-14,18H,5,10-11H2,1-4H3,(H,19,21)
InChIKeyDQHXPEJSVODKCX-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.48
Rot. Bonds4

About N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide

N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide (PubChem CID 79179400) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide
PubChem CID79179400
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide
SMILESCCNC(C)c1ccc(NC(=O)N2CC(C)C(C)C2)cc1
InChIInChI=1S/C17H27N3O/c1-5-18-14(4)15-6-8-16(9-7-15)19-17(21)20-10-12(2)13(3)11-20/h6-9,12-14,18H,5,10-11H2,1-4H3,(H,19,21)
InChIKeyDQHXPEJSVODKCX-UHFFFAOYSA-N
XLogP3.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
CID 102964223
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61341452
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
3-[4-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340995
3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea
CID 62338403
N-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 114681075
1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 63995785
N-[4-[1-(ethylamino)ethyl]phenyl]-2-phenylacetamide
CID 43507673
N-[4-[1-(ethylamino)ethyl]phenyl]-2-propan-2-yloxyacetamide
CID 112602421
2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide
CID 43507662
2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide
CID 43507733

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide (CID 79179400) is N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide is CCNC(C)c1ccc(NC(=O)N2CC(C)C(C)C2)cc1.
What is the InChIKey of N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide?
The InChIKey is DQHXPEJSVODKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-18-14(4)15-6-8-16(9-7-15)19-17(21)20-10-12(2)13(3)11-20/h6-9,12-14,18H,5,10-11H2,1-4H3,(H,19,21).
What are the key properties of N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide?
N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 79179400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).