N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide

C14H22N2O2 — CID 164636483

IUPACN-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide
SMILESCC[C@H](C)NC(=O)CCNCC=Cc1ccco1
InChIInChI=1S/C14H22N2O2/c1-3-12(2)16-14(17)8-10-15-9-4-6-13-7-5-11-18-13/h4-7,11-12,15H,3,8-10H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyINHQLNPJLZAWGY-LBPRGKRZSA-N
MW250.34 g/mol
LogP2.19
Rot. Bonds8

About N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide

N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide (PubChem CID 164636483) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide
PubChem CID164636483
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide
SMILESCC[C@H](C)NC(=O)CCNCC=Cc1ccco1
InChIInChI=1S/C14H22N2O2/c1-3-12(2)16-14(17)8-10-15-9-4-6-13-7-5-11-18-13/h4-7,11-12,15H,3,8-10H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyINHQLNPJLZAWGY-LBPRGKRZSA-N
XLogP2.19
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide
CID 115865995
(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol
CID 103884288
N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine
CID 115865879
N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine
CID 115865915
(E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine
CID 115865959
3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide
CID 112688565
N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide
CID 103817602
2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
CID 115866078
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
N-butan-2-yl-3-(2-phenylpropylamino)propanamide
CID 54893679
2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
CID 115865979

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide (CID 164636483) is N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide is CC[C@H](C)NC(=O)CCNCC=Cc1ccco1.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide?
The InChIKey is INHQLNPJLZAWGY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12(2)16-14(17)8-10-15-9-4-6-13-7-5-11-18-13/h4-7,11-12,15H,3,8-10H2,1-2H3,(H,16,17)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide?
N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide is sourced from PubChem (CID 164636483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).