3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide

C19H30N4O2 — CID 87834491

IUPAC3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide
SMILESCCCc1c(C(N)=O)cc(N2CCCC2=O)c(NC(C)C)c1NCC
InChIInChI=1S/C19H30N4O2/c1-5-8-13-14(19(20)25)11-15(23-10-7-9-16(23)24)18(22-12(3)4)17(13)21-6-2/h11-12,21-22H,5-10H2,1-4H3,(H2,20,25)
InChIKeyYPPCBLKODQYPRJ-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.12
Rot. Bonds8

About 3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide

3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide (PubChem CID 87834491) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide.

Molecular Properties

Compound Name3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide
PubChem CID87834491
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide
SMILESCCCc1c(C(N)=O)cc(N2CCCC2=O)c(NC(C)C)c1NCC
InChIInChI=1S/C19H30N4O2/c1-5-8-13-14(19(20)25)11-15(23-10-7-9-16(23)24)18(22-12(3)4)17(13)21-6-2/h11-12,21-22H,5-10H2,1-4H3,(H2,20,25)
InChIKeyYPPCBLKODQYPRJ-UHFFFAOYSA-N
XLogP3.12
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide?
The IUPAC name of 3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide (CID 87834491) is 3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide.
What is the SMILES notation for 3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide?
The canonical SMILES for 3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide is CCCc1c(C(N)=O)cc(N2CCCC2=O)c(NC(C)C)c1NCC.
What is the InChIKey of 3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide?
The InChIKey is YPPCBLKODQYPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-5-8-13-14(19(20)25)11-15(23-10-7-9-16(23)24)18(22-12(3)4)17(13)21-6-2/h11-12,21-22H,5-10H2,1-4H3,(H2,20,25).
What are the key properties of 3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide?
3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide has a molecular weight of 346.48 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide is sourced from PubChem (CID 87834491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).