N-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide

C18H25N3O3 — CID 171646812

IUPACN-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CC2C2NC(=O)NCC2C)cc1
InChIInChI=1S/C18H25N3O3/c1-10-9-19-18(23)21-16(10)14-8-15(14)17(22)20-11(2)12-4-6-13(24-3)7-5-12/h4-7,10-11,14-16H,8-9H2,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyPKDUXPOPGCBTDH-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.83
Rot. Bonds5

About N-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide

N-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide (PubChem CID 171646812) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide
PubChem CID171646812
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CC2C2NC(=O)NCC2C)cc1
InChIInChI=1S/C18H25N3O3/c1-10-9-19-18(23)21-16(10)14-8-15(14)17(22)20-11(2)12-4-6-13(24-3)7-5-12/h4-7,10-11,14-16H,8-9H2,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyPKDUXPOPGCBTDH-UHFFFAOYSA-N
XLogP1.83
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide
CID 171646905
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79385324
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010
tert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate
CID 42611530
6-[1-(4-methoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 17262888
N-[1-(4-methoxyphenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893283
2-amino-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 66197001
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81363570
cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 124756785
(1S,2S,3S,4R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11921975
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide (CID 171646812) is N-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide is COc1ccc(C(C)NC(=O)C2CC2C2NC(=O)NCC2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide?
The InChIKey is PKDUXPOPGCBTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-10-9-19-18(23)21-16(10)14-8-15(14)17(22)20-11(2)12-4-6-13(24-3)7-5-12/h4-7,10-11,14-16H,8-9H2,1-3H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide?
N-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171646812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).