N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide

C16H24N2O — CID 63108031

IUPACN-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide
SMILESC=CCN(C(=O)c1ccccc1NCCC)C(C)C
InChIInChI=1S/C16H24N2O/c1-5-11-17-15-10-8-7-9-14(15)16(19)18(12-6-2)13(3)4/h6-10,13,17H,2,5,11-12H2,1,3-4H3
InChIKeyMQVIGBNQAVIGQH-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.55
Rot. Bonds7

About N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide

N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide (PubChem CID 63108031) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide
PubChem CID63108031
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide
SMILESC=CCN(C(=O)c1ccccc1NCCC)C(C)C
InChIInChI=1S/C16H24N2O/c1-5-11-17-15-10-8-7-9-14(15)16(19)18(12-6-2)13(3)4/h6-10,13,17H,2,5,11-12H2,1,3-4H3
InChIKeyMQVIGBNQAVIGQH-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-N-propan-2-yl-2-(propylamino)benzamide
CID 62176891
N-pentyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62174124
methyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate
CID 63108124
N-methyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62166178
N-(2-methoxyethyl)-N-prop-2-enyl-2-(propylamino)benzamide
CID 103339638
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide
CID 55061041
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide
CID 62177403
N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 62180129
3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide
CID 61108768
1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide
CID 115280798
N-cyclopropyl-N-methyl-2-(propylamino)benzamide
CID 62169629

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide?
The IUPAC name of N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide (CID 63108031) is N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide.
What is the SMILES notation for N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide?
The canonical SMILES for N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide is C=CCN(C(=O)c1ccccc1NCCC)C(C)C.
What is the InChIKey of N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide?
The InChIKey is MQVIGBNQAVIGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-11-17-15-10-8-7-9-14(15)16(19)18(12-6-2)13(3)4/h6-10,13,17H,2,5,11-12H2,1,3-4H3.
What are the key properties of N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide?
N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide has a molecular weight of 260.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide is sourced from PubChem (CID 63108031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).