1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide

C19H29N3O3 — CID 56797928

IUPAC1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)N1CCC(C(N)=O)C1
InChIInChI=1S/C19H29N3O3/c1-13(2)25-17-8-6-15(7-9-17)5-4-14(3)21-19(24)22-11-10-16(12-22)18(20)23/h6-9,13-14,16H,4-5,10-12H2,1-3H3,(H2,20,23)(H,21,24)
InChIKeyHSPSQOXXSYTXKD-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.31
Rot. Bonds7

About 1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide

1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide (PubChem CID 56797928) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide
PubChem CID56797928
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)N1CCC(C(N)=O)C1
InChIInChI=1S/C19H29N3O3/c1-13(2)25-17-8-6-15(7-9-17)5-4-14(3)21-19(24)22-11-10-16(12-22)18(20)23/h6-9,13-14,16H,4-5,10-12H2,1-3H3,(H2,20,23)(H,21,24)
InChIKeyHSPSQOXXSYTXKD-UHFFFAOYSA-N
XLogP2.31
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 110901487
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 95588981
1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide
CID 51088386
(3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 95579656
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219
1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 51096030
(2R,6R)-4-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-6-methylmorpholine-2,4-dicarboxamide
CID 125131288
2-(methylamino)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 119720978
1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 94650228
4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 86927572
(3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide
CID 94109320

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide (CID 56797928) is 1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide is CC(CCc1ccc(OC(C)C)cc1)NC(=O)N1CCC(C(N)=O)C1.
What is the InChIKey of 1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is HSPSQOXXSYTXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(2)25-17-8-6-15(7-9-17)5-4-14(3)21-19(24)22-11-10-16(12-22)18(20)23/h6-9,13-14,16H,4-5,10-12H2,1-3H3,(H2,20,23)(H,21,24).
What are the key properties of 1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide?
1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 56797928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).