3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide

C18H26N2O — CID 102907703

IUPAC3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCC(C)C(CNC(=O)c1cccc(C#CCN)c1)C(C)C
InChIInChI=1S/C18H26N2O/c1-13(2)17(14(3)4)12-20-18(21)16-9-5-7-15(11-16)8-6-10-19/h5,7,9,11,13-14,17H,10,12,19H2,1-4H3,(H,20,21)
InChIKeyMIGMCHYPJWOVPQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.65
Rot. Bonds5

About 3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide

3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide (PubChem CID 102907703) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide
PubChem CID102907703
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCC(C)C(CNC(=O)c1cccc(C#CCN)c1)C(C)C
InChIInChI=1S/C18H26N2O/c1-13(2)17(14(3)4)12-20-18(21)16-9-5-7-15(11-16)8-6-10-19/h5,7,9,11,13-14,17H,10,12,19H2,1-4H3,(H,20,21)
InChIKeyMIGMCHYPJWOVPQ-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
3-(3-aminoprop-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62640695
3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide
CID 113485892
3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide
CID 64603488
N-(4-amino-4-oxobutyl)-3-(3-aminoprop-1-ynyl)benzamide
CID 60865430
3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 61466129
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide
CID 61378884
3-(3-aminoprop-1-ynyl)-N-(3-methylpentan-3-yl)benzamide
CID 106331050
3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60821661
3-(3-aminoprop-1-ynyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65245267
3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
CID 60821167

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide (CID 102907703) is 3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide is CC(C)C(CNC(=O)c1cccc(C#CCN)c1)C(C)C.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The InChIKey is MIGMCHYPJWOVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)17(14(3)4)12-20-18(21)16-9-5-7-15(11-16)8-6-10-19/h5,7,9,11,13-14,17H,10,12,19H2,1-4H3,(H,20,21).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide has a molecular weight of 286.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide is sourced from PubChem (CID 102907703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).