(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide

C13H18N2O3 — CID 7581820

IUPAC(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccco1
InChIInChI=1S/C13H18N2O3/c1-3-8-14-13(17)10(2)15-12(16)7-6-11-5-4-9-18-11/h4-7,9-10H,3,8H2,1-2H3,(H,14,17)(H,15,16)/b7-6+/t10-/m0/s1
InChIKeyGKJGCIMNVXQBBZ-FGEFZZPRSA-N
MW250.30 g/mol
LogP1.32
Rot. Bonds6

About (2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide

(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide (PubChem CID 7581820) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide
PubChem CID7581820
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccco1
InChIInChI=1S/C13H18N2O3/c1-3-8-14-13(17)10(2)15-12(16)7-6-11-5-4-9-18-11/h4-7,9-10H,3,8H2,1-2H3,(H,14,17)(H,15,16)/b7-6+/t10-/m0/s1
InChIKeyGKJGCIMNVXQBBZ-FGEFZZPRSA-N
XLogP1.32
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
CID 60637985
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N'-dipentylpentanediamide
CID 13421042
N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide
CID 18776403
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 107564277
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
(E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 43416620
3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75619467
(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide
CID 16626046
(E)-3-(furan-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 113246886
(E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide
CID 7936596
(2S)-2-[[(2S)-6-amino-2-[3-(furan-2-yl)prop-2-enoylamino]hexanoyl]amino]propanoic acid
CID 131849077
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide (CID 7581820) is (2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide is CCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccco1.
What is the InChIKey of (2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide?
The InChIKey is GKJGCIMNVXQBBZ-FGEFZZPRSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-8-14-13(17)10(2)15-12(16)7-6-11-5-4-9-18-11/h4-7,9-10H,3,8H2,1-2H3,(H,14,17)(H,15,16)/b7-6+/t10-/m0/s1.
What are the key properties of (2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide?
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide has a molecular weight of 250.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide is sourced from PubChem (CID 7581820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).