1-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-3-methylurea

C20H33N3O — CID 14181224

IUPAC1-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-3-methylurea
SMILESCCCN(CCC)C1CCc2cccc(CCNC(=O)NC)c2C1
InChIInChI=1S/C20H33N3O/c1-4-13-23(14-5-2)18-10-9-16-7-6-8-17(19(16)15-18)11-12-22-20(24)21-3/h6-8,18H,4-5,9-15H2,1-3H3,(H2,21,22,24)
InChIKeyFCSDREAGXBIVMQ-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.14
Rot. Bonds8

About 1-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-3-methylurea

1-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-3-methylurea (PubChem CID 14181224) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-3-methylurea
PubChem CID14181224
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-3-methylurea
SMILESCCCN(CCC)C1CCc2cccc(CCNC(=O)NC)c2C1
InChIInChI=1S/C20H33N3O/c1-4-13-23(14-5-2)18-10-9-16-7-6-8-17(19(16)15-18)11-12-22-20(24)21-3/h6-8,18H,4-5,9-15H2,1-3H3,(H2,21,22,24)
InChIKeyFCSDREAGXBIVMQ-UHFFFAOYSA-N
XLogP3.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 6603866
1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
CID 54473836
1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one
CID 10087077
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
CID 15230497
(E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one
CID 15222437
N,N-dipropyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15908435
N,N-dipropyl-8-(1,3,5-triazin-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 23373523
N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine
CID 74044271
(2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10426492
2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide
CID 54083145
(7S)-7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 15288637
8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10404331

Frequently Asked Questions

What is the IUPAC name of 1-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-3-methylurea?
The IUPAC name of 1-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-3-methylurea (CID 14181224) is 1-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-3-methylurea?
The canonical SMILES for 1-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-3-methylurea is CCCN(CCC)C1CCc2cccc(CCNC(=O)NC)c2C1.
What is the InChIKey of 1-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-3-methylurea?
The InChIKey is FCSDREAGXBIVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-4-13-23(14-5-2)18-10-9-16-7-6-8-17(19(16)15-18)11-12-22-20(24)21-3/h6-8,18H,4-5,9-15H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-3-methylurea?
1-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-3-methylurea has a molecular weight of 331.50 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-3-methylurea is sourced from PubChem (CID 14181224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).