1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea

C14H21N3O2 — CID 61309564

IUPAC1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)N(CCCN)C2CC2)c1
InChIInChI=1S/C14H21N3O2/c1-19-13-5-2-4-11(10-13)16-14(18)17(9-3-8-15)12-6-7-12/h2,4-5,10,12H,3,6-9,15H2,1H3,(H,16,18)
InChIKeyGGFRVFITNLUZBD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.04
Rot. Bonds6

About 1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea

1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea (PubChem CID 61309564) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea
PubChem CID61309564
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)N(CCCN)C2CC2)c1
InChIInChI=1S/C14H21N3O2/c1-19-13-5-2-4-11(10-13)16-14(18)17(9-3-8-15)12-6-7-12/h2,4-5,10,12H,3,6-9,15H2,1H3,(H,16,18)
InChIKeyGGFRVFITNLUZBD-UHFFFAOYSA-N
XLogP2.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102874255
1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea
CID 43319501
N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide
CID 108869157
1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea
CID 90607143
1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea
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1-(3-aminopropyl)-1-cyclopentyl-3-phenylurea
CID 43319508
N-(3-aminopropyl)-N-cyclohexyl-3-methoxybenzamide
CID 43319405
1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea
CID 61310944
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209
1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea
CID 111430067
1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea
CID 54992248
1-cyclopropyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(3-methoxyphenyl)urea
CID 90569999

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea (CID 61309564) is 1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)N(CCCN)C2CC2)c1.
What is the InChIKey of 1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea?
The InChIKey is GGFRVFITNLUZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-13-5-2-4-11(10-13)16-14(18)17(9-3-8-15)12-6-7-12/h2,4-5,10,12H,3,6-9,15H2,1H3,(H,16,18).
What are the key properties of 1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea?
1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea has a molecular weight of 263.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 61309564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).