(Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide

C12H20N4O4 — CID 108844518

IUPAC(Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide
SMILESN#C/C(=C/NCCCNC=O)C(=O)N(CCO)CCO
InChIInChI=1S/C12H20N4O4/c13-8-11(9-14-2-1-3-15-10-19)12(20)16(4-6-17)5-7-18/h9-10,14,17-18H,1-7H2,(H,15,19)/b11-9-
InChIKeyNXMDUXWNMJAVBY-LUAWRHEFSA-N
MW284.32 g/mol
LogP-2.07
Rot. Bonds11

About (Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide

(Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide (PubChem CID 108844518) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide
PubChem CID108844518
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name(Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide
SMILESN#C/C(=C/NCCCNC=O)C(=O)N(CCO)CCO
InChIInChI=1S/C12H20N4O4/c13-8-11(9-14-2-1-3-15-10-19)12(20)16(4-6-17)5-7-18/h9-10,14,17-18H,1-7H2,(H,15,19)/b11-9-
InChIKeyNXMDUXWNMJAVBY-LUAWRHEFSA-N
XLogP-2.07
TPSA125.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-2.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(3-hydroxypropylamino)prop-2-enamide
CID 108844472
(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(pentylamino)prop-2-enamide
CID 108844450
(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(4-phenylbutylamino)prop-2-enamide
CID 108844651
2-[[(Z)-3-[bis(2-hydroxyethyl)amino]-2-cyano-3-oxoprop-1-enyl]amino]acetic acid
CID 108844369
(Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861176
(Z)-3-[2-(3-bromophenyl)ethylamino]-2-cyano-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 108844639
(Z)-3-[(4-bromophenyl)methylamino]-2-cyano-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 108844629
2-[[(Z)-2-cyano-3-(3-formamidopropylamino)prop-2-enoyl]amino]propanoic acid
CID 108844891
4-[[(Z)-3-[bis(prop-2-enyl)amino]-2-cyano-3-oxoprop-1-enyl]amino]butanoic acid
CID 108861100
(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-[2-(2-methoxyphenyl)ethylamino]prop-2-enamide
CID 108844631
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 108844347
4-[[(Z)-2-cyano-3-(3-formamidopropylamino)prop-2-enoyl]amino]butanoic acid
CID 108846010

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide (CID 108844518) is (Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide is N#C/C(=C/NCCCNC=O)C(=O)N(CCO)CCO.
What is the InChIKey of (Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide?
The InChIKey is NXMDUXWNMJAVBY-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H20N4O4/c13-8-11(9-14-2-1-3-15-10-19)12(20)16(4-6-17)5-7-18/h9-10,14,17-18H,1-7H2,(H,15,19)/b11-9-.
What are the key properties of (Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide?
(Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide has a molecular weight of 284.32 g/mol, XLogP of -2.07, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(3-formamidopropylamino)-N,N-bis(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 108844518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).