2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide

C17H27N3O — CID 61340887

IUPAC2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
SMILESCCNC(C)c1cccc(NC(=O)N2CCCC2CC)c1
InChIInChI=1S/C17H27N3O/c1-4-16-10-7-11-20(16)17(21)19-15-9-6-8-14(12-15)13(3)18-5-2/h6,8-9,12-13,16,18H,4-5,7,10-11H2,1-3H3,(H,19,21)
InChIKeyFSHNKANLNVEICT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.76
Rot. Bonds5

About 2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide

2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 61340887) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID61340887
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
SMILESCCNC(C)c1cccc(NC(=O)N2CCCC2CC)c1
InChIInChI=1S/C17H27N3O/c1-4-16-10-7-11-20(16)17(21)19-15-9-6-8-14(12-15)13(3)18-5-2/h6,8-9,12-13,16,18H,4-5,7,10-11H2,1-3H3,(H,19,21)
InChIKeyFSHNKANLNVEICT-UHFFFAOYSA-N
XLogP3.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide
CID 61339628
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea
CID 83017066
3-cyclopentyl-N-[3-[1-(ethylamino)ethyl]phenyl]propanamide
CID 43507838
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 61207094
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
CID 61465218
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea
CID 61341839
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide (CID 61340887) is 2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide is CCNC(C)c1cccc(NC(=O)N2CCCC2CC)c1.
What is the InChIKey of 2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is FSHNKANLNVEICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-16-10-7-11-20(16)17(21)19-15-9-6-8-14(12-15)13(3)18-5-2/h6,8-9,12-13,16,18H,4-5,7,10-11H2,1-3H3,(H,19,21).
What are the key properties of 2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide?
2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 61340887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).