N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide

C16H24N2O2 — CID 61214462

IUPACN-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CC(OC)CN2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-12-6-8-13(9-7-12)18-16(19)15-10-14(20-2)11-17-15/h6-9,14-15,17H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKeyUYIJREVVJBIEGA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.34
Rot. Bonds6

About N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide

N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61214462) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID61214462
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CC(OC)CN2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-12-6-8-13(9-7-12)18-16(19)15-10-14(20-2)11-17-15/h6-9,14-15,17H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKeyUYIJREVVJBIEGA-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 115339970
4-methoxy-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 62327297
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214741
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 106911790
N-(1-ethylpyrazol-4-yl)-4-methoxypyrrolidine-2-carboxamide
CID 61213731
N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213602
4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 62813538
N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214459
4-methoxy-N-(2-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61214182

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide (CID 61214462) is N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide is CCCCc1ccc(NC(=O)C2CC(OC)CN2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is UYIJREVVJBIEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-5-12-6-8-13(9-7-12)18-16(19)15-10-14(20-2)11-17-15/h6-9,14-15,17H,3-5,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide?
N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61214462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).