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

C20H31N3O4 — CID 6445013

IUPAC2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dimethyl-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCC(NC(=O)/C=C/c1ccco1)C(=O)N(C)C
InChIInChI=1S/C20H31N3O4/c1-5-13-23(14-6-2)19(25)12-10-17(20(26)22(3)4)21-18(24)11-9-16-8-7-15-27-16/h7-9,11,15,17H,5-6,10,12-14H2,1-4H3,(H,21,24)/b11-9+
InChIKeyRMFJQRMLZJRLGN-PKNBQFBNSA-N
MW377.49 g/mol
LogP2.29
Rot. Bonds11

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

2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dimethyl-N',N'-dipropylpentanediamide (PubChem CID 6445013) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dimethyl-N',N'-dipropylpentanediamide.

Molecular Properties

Compound Name2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dimethyl-N',N'-dipropylpentanediamide
PubChem CID6445013
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dimethyl-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCC(NC(=O)/C=C/c1ccco1)C(=O)N(C)C
InChIInChI=1S/C20H31N3O4/c1-5-13-23(14-6-2)19(25)12-10-17(20(26)22(3)4)21-18(24)11-9-16-8-7-15-27-16/h7-9,11,15,17H,5-6,10,12-14H2,1-4H3,(H,21,24)/b11-9+
InChIKeyRMFJQRMLZJRLGN-PKNBQFBNSA-N
XLogP2.29
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.29
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 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dimethyl-N',N'-dipropylpentanediamide?
The IUPAC name of 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dimethyl-N',N'-dipropylpentanediamide (CID 6445013) is 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dimethyl-N',N'-dipropylpentanediamide.
What is the SMILES notation for 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dimethyl-N',N'-dipropylpentanediamide?
The canonical SMILES for 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dimethyl-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCC(NC(=O)/C=C/c1ccco1)C(=O)N(C)C.
What is the InChIKey of 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dimethyl-N',N'-dipropylpentanediamide?
The InChIKey is RMFJQRMLZJRLGN-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-5-13-23(14-6-2)19(25)12-10-17(20(26)22(3)4)21-18(24)11-9-16-8-7-15-27-16/h7-9,11,15,17H,5-6,10,12-14H2,1-4H3,(H,21,24)/b11-9+.
What are the key properties of 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dimethyl-N',N'-dipropylpentanediamide?
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dimethyl-N',N'-dipropylpentanediamide has a molecular weight of 377.49 g/mol, XLogP of 2.29, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dimethyl-N',N'-dipropylpentanediamide is sourced from PubChem (CID 6445013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).