1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea

C14H23N3O2 — CID 79160382

IUPAC1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea
SMILESCCN(C)C(=O)N(CCCN)c1ccccc1OC
InChIInChI=1S/C14H23N3O2/c1-4-16(2)14(18)17(11-7-10-15)12-8-5-6-9-13(12)19-3/h5-6,8-9H,4,7,10-11,15H2,1-3H3
InChIKeyYRPRUTVIXPOURC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.92
Rot. Bonds6

About 1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea

1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea (PubChem CID 79160382) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea
PubChem CID79160382
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea
SMILESCCN(C)C(=O)N(CCCN)c1ccccc1OC
InChIInChI=1S/C14H23N3O2/c1-4-16(2)14(18)17(11-7-10-15)12-8-5-6-9-13(12)19-3/h5-6,8-9H,4,7,10-11,15H2,1-3H3
InChIKeyYRPRUTVIXPOURC-UHFFFAOYSA-N
XLogP1.92
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide
CID 28767707
N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide
CID 43136196
2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate
CID 43318992
1-(3-aminopropyl)-3-ethyl-1-(4-methoxyphenyl)-3-methylurea
CID 79160191
N-ethyl-N-(2-methoxyphenyl)carbamate
CID 57360584
N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide
CID 63011480
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
N-(5-hydroxypentyl)-N-(2-methoxyphenyl)propanamide
CID 70548251
N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 81106907
N-ethyl-N-(2-methoxyphenyl)benzamide
CID 138322543
hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea
CID 174379543

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea?
The IUPAC name of 1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea (CID 79160382) is 1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea.
What is the SMILES notation for 1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea?
The canonical SMILES for 1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea is CCN(C)C(=O)N(CCCN)c1ccccc1OC.
What is the InChIKey of 1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea?
The InChIKey is YRPRUTVIXPOURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-16(2)14(18)17(11-7-10-15)12-8-5-6-9-13(12)19-3/h5-6,8-9H,4,7,10-11,15H2,1-3H3.
What are the key properties of 1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea?
1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea has a molecular weight of 265.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea is sourced from PubChem (CID 79160382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).