N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide

C17H26N2O — CID 106609453

IUPACN-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESCCC(C(=O)N(CC)CC1CCCN1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-3-16(14-9-6-5-7-10-14)17(20)19(4-2)13-15-11-8-12-18-15/h5-7,9-10,15-16,18H,3-4,8,11-13H2,1-2H3
InChIKeyFKBWAZKMLBWTQL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.78
Rot. Bonds6

About N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide

N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide (PubChem CID 106609453) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
PubChem CID106609453
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESCCC(C(=O)N(CC)CC1CCCN1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-3-16(14-9-6-5-7-10-14)17(20)19(4-2)13-15-11-8-12-18-15/h5-7,9-10,15-16,18H,3-4,8,11-13H2,1-2H3
InChIKeyFKBWAZKMLBWTQL-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
CID 96555664
2-phenyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104971899
benzyl N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 66569368
2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955284
(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609156
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
2-methoxy-N-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106607603
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106609150
N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602398
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide?
The IUPAC name of N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide (CID 106609453) is N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide.
What is the SMILES notation for N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide?
The canonical SMILES for N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide is CCC(C(=O)N(CC)CC1CCCN1)c1ccccc1.
What is the InChIKey of N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide?
The InChIKey is FKBWAZKMLBWTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-16(14-9-6-5-7-10-14)17(20)19(4-2)13-15-11-8-12-18-15/h5-7,9-10,15-16,18H,3-4,8,11-13H2,1-2H3.
What are the key properties of N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide?
N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide has a molecular weight of 274.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide is sourced from PubChem (CID 106609453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).