2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide

C15H18N4O2 — CID 155433325

IUPAC2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide
SMILESCC(C)(NC(=O)/C(N)=C/c1c[nH]c2ccccc12)C(N)=O
InChIInChI=1S/C15H18N4O2/c1-15(2,14(17)21)19-13(20)11(16)7-9-8-18-12-6-4-3-5-10(9)12/h3-8,18H,16H2,1-2H3,(H2,17,21)(H,19,20)/b11-7-
InChIKeyRCRQRGNVOQPVBB-XFFZJAGNSA-N
MW286.34 g/mol
LogP0.85
Rot. Bonds4

About 2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide

2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide (PubChem CID 155433325) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide
PubChem CID155433325
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide
SMILESCC(C)(NC(=O)/C(N)=C/c1c[nH]c2ccccc12)C(N)=O
InChIInChI=1S/C15H18N4O2/c1-15(2,14(17)21)19-13(20)11(16)7-9-8-18-12-6-4-3-5-10(9)12/h3-8,18H,16H2,1-2H3,(H2,17,21)(H,19,20)/b11-7-
InChIKeyRCRQRGNVOQPVBB-XFFZJAGNSA-N
XLogP0.85
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid
CID 85336038
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
(Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid
CID 67920432
3-(2,2-dibromoethenyl)-1H-indole
CID 130532177
3-(1H-indol-3-yl)prop-2-enamide;propanoic acid
CID 174449864
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine
CID 155419669
N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide
CID 142165781
(E)-3-(1H-indol-3-yl)prop-2-enethioamide
CID 119088775
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
(E)-2-cyano-N-[4-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]phenyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 1181989
2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide
CID 959247

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide?
The IUPAC name of 2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide (CID 155433325) is 2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide.
What is the SMILES notation for 2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide?
The canonical SMILES for 2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide is CC(C)(NC(=O)/C(N)=C/c1c[nH]c2ccccc12)C(N)=O.
What is the InChIKey of 2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide?
The InChIKey is RCRQRGNVOQPVBB-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(2,14(17)21)19-13(20)11(16)7-9-8-18-12-6-4-3-5-10(9)12/h3-8,18H,16H2,1-2H3,(H2,17,21)(H,19,20)/b11-7-.
What are the key properties of 2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide?
2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide has a molecular weight of 286.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide is sourced from PubChem (CID 155433325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).