4-(heptylamino)-N-propan-2-ylbenzamide

C17H28N2O — CID 60935201

IUPAC4-(heptylamino)-N-propan-2-ylbenzamide
SMILESCCCCCCCNc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-4-5-6-7-8-13-18-16-11-9-15(10-12-16)17(20)19-14(2)3/h9-12,14,18H,4-8,13H2,1-3H3,(H,19,20)
InChIKeyNQMUMUZGPIOJKL-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.21
Rot. Bonds9

About 4-(heptylamino)-N-propan-2-ylbenzamide

4-(heptylamino)-N-propan-2-ylbenzamide (PubChem CID 60935201) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-(heptylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(heptylamino)-N-propan-2-ylbenzamide
PubChem CID60935201
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-(heptylamino)-N-propan-2-ylbenzamide
SMILESCCCCCCCNc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-4-5-6-7-8-13-18-16-11-9-15(10-12-16)17(20)19-14(2)3/h9-12,14,18H,4-8,13H2,1-3H3,(H,19,20)
InChIKeyNQMUMUZGPIOJKL-UHFFFAOYSA-N
XLogP4.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.21
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

4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840779
N-octan-2-yl-4-(propylamino)benzamide
CID 63500795
N-ethyl-4-(hexylamino)benzamide
CID 43728484
2-methyl-1-[4-(octylamino)phenyl]-3-phenylpropane-1,3-dione
CID 21318895
4-(butylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180623
N-pentyl-4-(propylamino)benzamide
CID 62185567
4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54820861
N-cyclopropyl-4-(pentylamino)benzamide
CID 43687480
2-[4-(hexadecylamino)benzoyl]propanedioic acid
CID 21318755
4-(pentylamino)benzoate
CID 53422656
N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide
CID 53361066
N-butan-2-yl-4-(propylamino)benzamide
CID 62171300

Frequently Asked Questions

What is the IUPAC name of 4-(heptylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(heptylamino)-N-propan-2-ylbenzamide (CID 60935201) is 4-(heptylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(heptylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(heptylamino)-N-propan-2-ylbenzamide is CCCCCCCNc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-(heptylamino)-N-propan-2-ylbenzamide?
The InChIKey is NQMUMUZGPIOJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-5-6-7-8-13-18-16-11-9-15(10-12-16)17(20)19-14(2)3/h9-12,14,18H,4-8,13H2,1-3H3,(H,19,20).
What are the key properties of 4-(heptylamino)-N-propan-2-ylbenzamide?
4-(heptylamino)-N-propan-2-ylbenzamide has a molecular weight of 276.42 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(heptylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 60935201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).