N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide

C15H21N3O — CID 82224550

IUPACN-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide
SMILESC=CCN(CC=C)C(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H21N3O/c1-4-10-18(11-5-2)12(3)15(19)17-14-8-6-13(16)7-9-14/h4-9,12H,1-2,10-11,16H2,3H3,(H,17,19)
InChIKeyCBDMXFURBKTPSU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.27
Rot. Bonds7

About N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide

N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide (PubChem CID 82224550) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide
PubChem CID82224550
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide
SMILESC=CCN(CC=C)C(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H21N3O/c1-4-10-18(11-5-2)12(3)15(19)17-14-8-6-13(16)7-9-14/h4-9,12H,1-2,10-11,16H2,3H3,(H,17,19)
InChIKeyCBDMXFURBKTPSU-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61242810
N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide
CID 62921681
(2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide
CID 102293196
N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63696461
N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide
CID 82224572
N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide
CID 82224626
(2S)-2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-phenylpropanamide
CID 8773794
(2R)-N-(4-aminophenyl)-2-fluoropropanamide
CID 131168097
N-(4-aminophenyl)-2-bromopropanamide
CID 57300084
N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide
CID 18877630
N-(3-amino-4-methylphenyl)-2-[bis(prop-2-enyl)amino]butanamide
CID 82224855
N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 54992578

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide?
The IUPAC name of N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide (CID 82224550) is N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide?
The canonical SMILES for N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide is C=CCN(CC=C)C(C)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide?
The InChIKey is CBDMXFURBKTPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-10-18(11-5-2)12(3)15(19)17-14-8-6-13(16)7-9-14/h4-9,12H,1-2,10-11,16H2,3H3,(H,17,19).
What are the key properties of N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide?
N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide has a molecular weight of 259.35 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide is sourced from PubChem (CID 82224550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).