3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide

C18H26N2O — CID 61378884

IUPAC3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C18H26N2O/c1-14(2)12-20(13-15(3)4)18(21)17-9-5-7-16(11-17)8-6-10-19/h5,7,9,11,14-15H,10,12-13,19H2,1-4H3
InChIKeyXQMMFTSMFLQGGY-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.75
Rot. Bonds5

About 3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide

3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide (PubChem CID 61378884) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide
PubChem CID61378884
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C18H26N2O/c1-14(2)12-20(13-15(3)4)18(21)17-9-5-7-16(11-17)8-6-10-19/h5,7,9,11,14-15H,10,12-13,19H2,1-4H3
InChIKeyXQMMFTSMFLQGGY-UHFFFAOYSA-N
XLogP2.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N,N-diethylbenzamide
CID 60821032
3-(3-aminoprop-1-ynyl)-N,N-bis(cyanomethyl)benzamide
CID 54921681
3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102907703
3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)benzamide
CID 63286904
4-methylpentyl 3-[bis(2-methylpropyl)carbamoyl]benzoate
CID 91737153
3-(3-aminoprop-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62640695
3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 60822484
3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide
CID 60820921
3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 61466129
3-(3-aminoprop-1-ynyl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61438969
3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide
CID 64603488
undecyl 3-[bis(2-methylpropyl)carbamoyl]benzoate
CID 91741784

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide (CID 61378884) is 3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide is CC(C)CN(CC(C)C)C(=O)c1cccc(C#CCN)c1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide?
The InChIKey is XQMMFTSMFLQGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(2)12-20(13-15(3)4)18(21)17-9-5-7-16(11-17)8-6-10-19/h5,7,9,11,14-15H,10,12-13,19H2,1-4H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide?
3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide has a molecular weight of 286.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide is sourced from PubChem (CID 61378884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).