N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide

C16H24N2O2 — CID 118011626

IUPACN-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2)cc1C(C)C
InChIInChI=1S/C16H24N2O2/c1-4-20-15-8-7-13(11-14(15)12(2)3)17-16(19)18-9-5-6-10-18/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeySIMSBNMMJPHVDJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.84
Rot. Bonds4

About N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide

N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide (PubChem CID 118011626) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
PubChem CID118011626
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2)cc1C(C)C
InChIInChI=1S/C16H24N2O2/c1-4-20-15-8-7-13(11-14(15)12(2)3)17-16(19)18-9-5-6-10-18/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeySIMSBNMMJPHVDJ-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[(3-propan-2-yl-4-propoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 139022286
N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide
CID 115581858
N-(4-ethoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47410728
4-(2,2-difluoroethyl)-N-(4-ethoxy-3-methylphenyl)piperazine-1-carboxamide
CID 49118117
4-ethoxy-3-(pyrrolidine-1-carbonylamino)benzenesulfonyl chloride
CID 2758788
1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122079089
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 56822388
(3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595317
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595316
(3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide
CID 97270143
N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 84600938

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide (CID 118011626) is N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCCC2)cc1C(C)C.
What is the InChIKey of N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is SIMSBNMMJPHVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-20-15-8-7-13(11-14(15)12(2)3)17-16(19)18-9-5-6-10-18/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide?
N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 118011626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).