1-[(Z)-4-amino-3-hydrazinylbut-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea

C16H28N6O2 — CID 142400571

IUPAC1-[(Z)-4-amino-3-hydrazinylbut-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
SMILESCN(C)C(CNC(=O)NCC/C(=C/N)NN)Cc1ccc(O)cc1
InChIInChI=1S/C16H28N6O2/c1-22(2)14(9-12-3-5-15(23)6-4-12)11-20-16(24)19-8-7-13(10-17)21-18/h3-6,10,14,21,23H,7-9,11,17-18H2,1-2H3,(H2,19,20,24)/b13-10-
InChIKeyYPHYACMTDUQXAX-RAXLEYEMSA-N
MW336.44 g/mol
LogP-0.18
Rot. Bonds9

About 1-[(Z)-4-amino-3-hydrazinylbut-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea

1-[(Z)-4-amino-3-hydrazinylbut-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea (PubChem CID 142400571) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[(Z)-4-amino-3-hydrazinylbut-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-[(Z)-4-amino-3-hydrazinylbut-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
PubChem CID142400571
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Name1-[(Z)-4-amino-3-hydrazinylbut-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
SMILESCN(C)C(CNC(=O)NCC/C(=C/N)NN)Cc1ccc(O)cc1
InChIInChI=1S/C16H28N6O2/c1-22(2)14(9-12-3-5-15(23)6-4-12)11-20-16(24)19-8-7-13(10-17)21-18/h3-6,10,14,21,23H,7-9,11,17-18H2,1-2H3,(H2,19,20,24)/b13-10-
InChIKeyYPHYACMTDUQXAX-RAXLEYEMSA-N
XLogP-0.18
TPSA128.67 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-3-amino-4-[amino(benzyl)amino]but-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
CID 135213883
1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-propyl-1,2-dihydrotriazol-5-yl)ethyl]urea
CID 145230180
1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea
CID 167893298
(E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-2-methyl-3-phenylprop-2-enamide
CID 162745291
1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-(3H-pyrazol-5-yl)propan-2-yl]urea
CID 158793458
1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
CID 145230144
1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea
CID 18153434
4-[(2S)-3-amino-2-(dimethylamino)propyl]phenol;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide;(3S)-3-phenylbutanoic acid;sulfane
CID 167585340
cis-(1R,2S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 139568768
1-[(2R)-1-(1-benzothiophen-3-yl)propan-2-yl]-3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
CID 135214090
1-[(2S)-3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-3-[(4-hydroxyphenyl)methyl]urea
CID 175751380
3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide
CID 24640003

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-amino-3-hydrazinylbut-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea?
The IUPAC name of 1-[(Z)-4-amino-3-hydrazinylbut-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea (CID 142400571) is 1-[(Z)-4-amino-3-hydrazinylbut-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea.
What is the SMILES notation for 1-[(Z)-4-amino-3-hydrazinylbut-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea?
The canonical SMILES for 1-[(Z)-4-amino-3-hydrazinylbut-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea is CN(C)C(CNC(=O)NCC/C(=C/N)NN)Cc1ccc(O)cc1.
What is the InChIKey of 1-[(Z)-4-amino-3-hydrazinylbut-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea?
The InChIKey is YPHYACMTDUQXAX-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-22(2)14(9-12-3-5-15(23)6-4-12)11-20-16(24)19-8-7-13(10-17)21-18/h3-6,10,14,21,23H,7-9,11,17-18H2,1-2H3,(H2,19,20,24)/b13-10-.
What are the key properties of 1-[(Z)-4-amino-3-hydrazinylbut-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea?
1-[(Z)-4-amino-3-hydrazinylbut-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea has a molecular weight of 336.44 g/mol, XLogP of -0.18, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-amino-3-hydrazinylbut-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea is sourced from PubChem (CID 142400571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).