N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide

C19H25N3O4 — CID 42770719

IUPACN-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(C(=O)C2CCC2)C2CC2)cc1
InChIInChI=1S/C19H25N3O4/c1-26-16-9-5-14(6-10-16)21-17(23)11-20-18(24)12-22(15-7-8-15)19(25)13-3-2-4-13/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H,20,24)(H,21,23)
InChIKeyJEMUEKVZMQNGIP-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.54
Rot. Bonds8

About N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide

N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide (PubChem CID 42770719) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide
PubChem CID42770719
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(C(=O)C2CCC2)C2CC2)cc1
InChIInChI=1S/C19H25N3O4/c1-26-16-9-5-14(6-10-16)21-17(23)11-20-18(24)12-22(15-7-8-15)19(25)13-3-2-4-13/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H,20,24)(H,21,23)
InChIKeyJEMUEKVZMQNGIP-UHFFFAOYSA-N
XLogP1.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 5059734
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 4625550
2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 5087238
3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4016801
2-[[2-[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 42770718
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide
CID 3630731
cyclopropyl-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 7297720
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4601773
N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 4623937
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 115571333

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide?
The IUPAC name of N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide (CID 42770719) is N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide is COc1ccc(NC(=O)CNC(=O)CN(C(=O)C2CCC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide?
The InChIKey is JEMUEKVZMQNGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-26-16-9-5-14(6-10-16)21-17(23)11-20-18(24)12-22(15-7-8-15)19(25)13-3-2-4-13/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide?
N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide is sourced from PubChem (CID 42770719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).