N-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide

C17H25N3O — CID 82224855

IUPACN-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide
SMILESC=CCN(CC=C)C(CC)C(=O)Nc1ccc(C)c(N)c1
InChIInChI=1S/C17H25N3O/c1-5-10-20(11-6-2)16(7-3)17(21)19-14-9-8-13(4)15(18)12-14/h5-6,8-9,12,16H,1-2,7,10-11,18H2,3-4H3,(H,19,21)
InChIKeyJRJQNSQYTRLPPO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.97
Rot. Bonds8

About N-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide

N-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide (PubChem CID 82224855) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide
PubChem CID82224855
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide
SMILESC=CCN(CC=C)C(CC)C(=O)Nc1ccc(C)c(N)c1
InChIInChI=1S/C17H25N3O/c1-5-10-20(11-6-2)16(7-3)17(21)19-14-9-8-13(4)15(18)12-14/h5-6,8-9,12,16H,1-2,7,10-11,18H2,3-4H3,(H,19,21)
InChIKeyJRJQNSQYTRLPPO-UHFFFAOYSA-N
XLogP2.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide
CID 82224877
N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441
N-(3-amino-4-methylphenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224835
N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide
CID 82224550
2-[[1-(3-amino-4-methylanilino)-1-oxopropan-2-yl]-methylamino]acetic acid
CID 82224892
(2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide
CID 40788859
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide
CID 82224572
2-amino-N-(3-iodo-4-methylphenyl)butanamide
CID 43707975
N-(3-amino-4-ethylphenyl)-2-ethylbutanamide
CID 28866738
N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24690358

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide (CID 82224855) is N-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide is C=CCN(CC=C)C(CC)C(=O)Nc1ccc(C)c(N)c1.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide?
The InChIKey is JRJQNSQYTRLPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-10-20(11-6-2)16(7-3)17(21)19-14-9-8-13(4)15(18)12-14/h5-6,8-9,12,16H,1-2,7,10-11,18H2,3-4H3,(H,19,21).
What are the key properties of N-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide?
N-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide has a molecular weight of 287.41 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide is sourced from PubChem (CID 82224855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).