3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C21H33N3O2 — CID 42698686

IUPAC3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCCCCNC(=O)N(CCC)CCC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C21H33N3O2/c1-3-5-14-22-21(26)24(15-4-2)16-13-20(25)23-19-12-8-10-17-9-6-7-11-18(17)19/h6-7,9,11,19H,3-5,8,10,12-16H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyKNSSEBYERPICLV-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.79
Rot. Bonds9

About 3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 42698686) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID42698686
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCCCCNC(=O)N(CCC)CCC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C21H33N3O2/c1-3-5-14-22-21(26)24(15-4-2)16-13-20(25)23-19-12-8-10-17-9-6-7-11-18(17)19/h6-7,9,11,19H,3-5,8,10,12-16H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyKNSSEBYERPICLV-UHFFFAOYSA-N
XLogP3.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
3-[2-hydroxyethyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 110892171
3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4517212
N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide
CID 42698837
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 7744929
3-[methyl(2-methylsulfanylethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 71855495
3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 94199738
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
dodecyl 5-oxo-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoate
CID 91719313

Frequently Asked Questions

What is the IUPAC name of 3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 42698686) is 3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is CCCCNC(=O)N(CCC)CCC(=O)NC1CCCc2ccccc21.
What is the InChIKey of 3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is KNSSEBYERPICLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-3-5-14-22-21(26)24(15-4-2)16-13-20(25)23-19-12-8-10-17-9-6-7-11-18(17)19/h6-7,9,11,19H,3-5,8,10,12-16H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 359.51 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 42698686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).