3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide

C20H24N4O2 — CID 119321592

IUPAC3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide
SMILESNCCC(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1
InChIInChI=1S/C20H24N4O2/c21-12-11-19(25)22-15-7-4-8-16(13-15)23-20(26)24-18-10-3-6-14-5-1-2-9-17(14)18/h3-4,6-8,10,13H,1-2,5,9,11-12,21H2,(H,22,25)(H2,23,24,26)
InChIKeyQUUUZEUZBGIAHM-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.50
Rot. Bonds5

About 3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide

3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide (PubChem CID 119321592) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide
PubChem CID119321592
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide
SMILESNCCC(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1
InChIInChI=1S/C20H24N4O2/c21-12-11-19(25)22-15-7-4-8-16(13-15)23-20(26)24-18-10-3-6-14-5-1-2-9-17(14)18/h3-4,6-8,10,13H,1-2,5,9,11-12,21H2,(H,22,25)(H2,23,24,26)
InChIKeyQUUUZEUZBGIAHM-UHFFFAOYSA-N
XLogP3.50
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 43468950
1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 51488466
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 17435174
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50777725
2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111721623
S-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl] ethanethioate
CID 88670492
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 111104553
1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 5016526
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 47175572

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide (CID 119321592) is 3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide is NCCC(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1.
What is the InChIKey of 3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide?
The InChIKey is QUUUZEUZBGIAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c21-12-11-19(25)22-15-7-4-8-16(13-15)23-20(26)24-18-10-3-6-14-5-1-2-9-17(14)18/h3-4,6-8,10,13H,1-2,5,9,11-12,21H2,(H,22,25)(H2,23,24,26).
What are the key properties of 3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide?
3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide has a molecular weight of 352.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 119321592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).