(2S)-N-(furan-2-yl)-4-methyl-2-[[2-(prop-2-enoylamino)acetyl]amino]pentanamide

C15H21N3O4 — CID 140910607

IUPAC(2S)-N-(furan-2-yl)-4-methyl-2-[[2-(prop-2-enoylamino)acetyl]amino]pentanamide
SMILESC=CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccco1
InChIInChI=1S/C15H21N3O4/c1-4-12(19)16-9-13(20)17-11(8-10(2)3)15(21)18-14-6-5-7-22-14/h4-7,10-11H,1,8-9H2,2-3H3,(H,16,19)(H,17,20)(H,18,21)/t11-/m0/s1
InChIKeyDXRJLNSNIWMTFH-NSHDSACASA-N
MW307.35 g/mol
LogP1.05
Rot. Bonds8

About (2S)-N-(furan-2-yl)-4-methyl-2-[[2-(prop-2-enoylamino)acetyl]amino]pentanamide

(2S)-N-(furan-2-yl)-4-methyl-2-[[2-(prop-2-enoylamino)acetyl]amino]pentanamide (PubChem CID 140910607) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2S)-N-(furan-2-yl)-4-methyl-2-[[2-(prop-2-enoylamino)acetyl]amino]pentanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-yl)-4-methyl-2-[[2-(prop-2-enoylamino)acetyl]amino]pentanamide
PubChem CID140910607
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name(2S)-N-(furan-2-yl)-4-methyl-2-[[2-(prop-2-enoylamino)acetyl]amino]pentanamide
SMILESC=CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccco1
InChIInChI=1S/C15H21N3O4/c1-4-12(19)16-9-13(20)17-11(8-10(2)3)15(21)18-14-6-5-7-22-14/h4-7,10-11H,1,8-9H2,2-3H3,(H,16,19)(H,17,20)(H,18,21)/t11-/m0/s1
InChIKeyDXRJLNSNIWMTFH-NSHDSACASA-N
XLogP1.05
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 137657036
Furyl-acryloyl-glycyl-leucinamide
CID 69565047
1-(Furan-2-ylamino)ethyl acetate
CID 76315726
N-(furan-2-yl)pentanamide
CID 10964897
N,N'-bis(furan-2-yl)ethane-1,2-diamine
CID 14274752
Furyl-acryloyl-alanyl-lysine
CID 129670956
Furylcyclohexylamine
CID 129797347
4-(Furan-2-yl)-5-(trifluoromethyl)piperazin-2-one
CID 115101434
(3S)-3-amino-4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]-(furan-2-yl)amino]-4-oxobutanoic acid
CID 18609758
N-ethylfuran-2-amine
CID 19773393
2-(Furan-2-ylamino)acetaldehyde
CID 20293277
1-(Furan-2-yl)-3-(methylamino)azepan-2-one
CID 20589705

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-yl)-4-methyl-2-[[2-(prop-2-enoylamino)acetyl]amino]pentanamide?
The IUPAC name of (2S)-N-(furan-2-yl)-4-methyl-2-[[2-(prop-2-enoylamino)acetyl]amino]pentanamide (CID 140910607) is (2S)-N-(furan-2-yl)-4-methyl-2-[[2-(prop-2-enoylamino)acetyl]amino]pentanamide.
What is the SMILES notation for (2S)-N-(furan-2-yl)-4-methyl-2-[[2-(prop-2-enoylamino)acetyl]amino]pentanamide?
The canonical SMILES for (2S)-N-(furan-2-yl)-4-methyl-2-[[2-(prop-2-enoylamino)acetyl]amino]pentanamide is C=CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccco1.
What is the InChIKey of (2S)-N-(furan-2-yl)-4-methyl-2-[[2-(prop-2-enoylamino)acetyl]amino]pentanamide?
The InChIKey is DXRJLNSNIWMTFH-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O4/c1-4-12(19)16-9-13(20)17-11(8-10(2)3)15(21)18-14-6-5-7-22-14/h4-7,10-11H,1,8-9H2,2-3H3,(H,16,19)(H,17,20)(H,18,21)/t11-/m0/s1.
What are the key properties of (2S)-N-(furan-2-yl)-4-methyl-2-[[2-(prop-2-enoylamino)acetyl]amino]pentanamide?
(2S)-N-(furan-2-yl)-4-methyl-2-[[2-(prop-2-enoylamino)acetyl]amino]pentanamide has a molecular weight of 307.35 g/mol, XLogP of 1.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-yl)-4-methyl-2-[[2-(prop-2-enoylamino)acetyl]amino]pentanamide is sourced from PubChem (CID 140910607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).