N',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide

C22H35N3O4 — CID 6445012

IUPACN',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)C(CCC(=O)N(CC)CC)NC(=O)/C=C/c1ccco1
InChIInChI=1S/C22H35N3O4/c1-5-15-25(16-6-2)22(28)19(12-14-21(27)24(7-3)8-4)23-20(26)13-11-18-10-9-17-29-18/h9-11,13,17,19H,5-8,12,14-16H2,1-4H3,(H,23,26)/b13-11+
InChIKeyTYZNAYCPGCUADZ-ACCUITESSA-N
MW405.54 g/mol
LogP3.07
Rot. Bonds13

About N',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide

N',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide (PubChem CID 6445012) has the molecular formula C22H35N3O4 and a molecular weight of 405.54 g/mol. Its IUPAC name is N',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide.

Molecular Properties

Compound NameN',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide
PubChem CID6445012
Molecular FormulaC22H35N3O4
Molecular Weight405.54 g/mol
Exact Mass405.26
IUPAC NameN',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)C(CCC(=O)N(CC)CC)NC(=O)/C=C/c1ccco1
InChIInChI=1S/C22H35N3O4/c1-5-15-25(16-6-2)22(28)19(12-14-21(27)24(7-3)8-4)23-20(26)13-11-18-10-9-17-29-18/h9-11,13,17,19H,5-8,12,14-16H2,1-4H3,(H,23,26)/b13-11+
InChIKeyTYZNAYCPGCUADZ-ACCUITESSA-N
XLogP3.07
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide?
The IUPAC name of N',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide (CID 6445012) is N',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide.
What is the SMILES notation for N',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide?
The canonical SMILES for N',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide is CCCN(CCC)C(=O)C(CCC(=O)N(CC)CC)NC(=O)/C=C/c1ccco1.
What is the InChIKey of N',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide?
The InChIKey is TYZNAYCPGCUADZ-ACCUITESSA-N. The full InChI is InChI=1S/C22H35N3O4/c1-5-15-25(16-6-2)22(28)19(12-14-21(27)24(7-3)8-4)23-20(26)13-11-18-10-9-17-29-18/h9-11,13,17,19H,5-8,12,14-16H2,1-4H3,(H,23,26)/b13-11+.
What are the key properties of N',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide?
N',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide has a molecular weight of 405.54 g/mol, XLogP of 3.07, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide is sourced from PubChem (CID 6445012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).