N-(6-methylhept-4-ynyl)-4-(propan-2-ylamino)benzamide

C18H26N2O — CID 170673489

IUPACN-(6-methylhept-4-ynyl)-4-(propan-2-ylamino)benzamide
SMILESCC(C)C#CCCCNC(=O)c1ccc(NC(C)C)cc1
InChIInChI=1S/C18H26N2O/c1-14(2)8-6-5-7-13-19-18(21)16-9-11-17(12-10-16)20-15(3)4/h9-12,14-15,20H,5,7,13H2,1-4H3,(H,19,21)
InChIKeyMFMZOQDMQJCVCC-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.68
Rot. Bonds6

About N-(6-methylhept-4-ynyl)-4-(propan-2-ylamino)benzamide

N-(6-methylhept-4-ynyl)-4-(propan-2-ylamino)benzamide (PubChem CID 170673489) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(6-methylhept-4-ynyl)-4-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(6-methylhept-4-ynyl)-4-(propan-2-ylamino)benzamide
PubChem CID170673489
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(6-methylhept-4-ynyl)-4-(propan-2-ylamino)benzamide
SMILESCC(C)C#CCCCNC(=O)c1ccc(NC(C)C)cc1
InChIInChI=1S/C18H26N2O/c1-14(2)8-6-5-7-13-19-18(21)16-9-11-17(12-10-16)20-15(3)4/h9-12,14-15,20H,5,7,13H2,1-4H3,(H,19,21)
InChIKeyMFMZOQDMQJCVCC-UHFFFAOYSA-N
XLogP3.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
CID 11783188
N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 119432618
N-(3-cyanopropyl)benzamide
CID 62666234
N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817609
4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide
CID 107300353
N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide
CID 55086136
N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309
4-(aminomethyl)-N-(3-cyanopropyl)benzamide
CID 62667032
methyl 4-(undec-3-yn-2-ylamino)benzoate
CID 10685711
4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide
CID 63944752
4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 7376221
N-[5-(4-methylphenyl)pent-4-ynyl]benzamide
CID 102443613

Frequently Asked Questions

What is the IUPAC name of N-(6-methylhept-4-ynyl)-4-(propan-2-ylamino)benzamide?
The IUPAC name of N-(6-methylhept-4-ynyl)-4-(propan-2-ylamino)benzamide (CID 170673489) is N-(6-methylhept-4-ynyl)-4-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-(6-methylhept-4-ynyl)-4-(propan-2-ylamino)benzamide?
The canonical SMILES for N-(6-methylhept-4-ynyl)-4-(propan-2-ylamino)benzamide is CC(C)C#CCCCNC(=O)c1ccc(NC(C)C)cc1.
What is the InChIKey of N-(6-methylhept-4-ynyl)-4-(propan-2-ylamino)benzamide?
The InChIKey is MFMZOQDMQJCVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(2)8-6-5-7-13-19-18(21)16-9-11-17(12-10-16)20-15(3)4/h9-12,14-15,20H,5,7,13H2,1-4H3,(H,19,21).
What are the key properties of N-(6-methylhept-4-ynyl)-4-(propan-2-ylamino)benzamide?
N-(6-methylhept-4-ynyl)-4-(propan-2-ylamino)benzamide has a molecular weight of 286.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylhept-4-ynyl)-4-(propan-2-ylamino)benzamide is sourced from PubChem (CID 170673489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).