2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide

C12H21ClN2O2 — CID 142183516

IUPAC2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide
SMILESC/C=C\C(CNC(=O)C(N)COC)=C(\Cl)CC
InChIInChI=1S/C12H21ClN2O2/c1-4-6-9(10(13)5-2)7-15-12(16)11(14)8-17-3/h4,6,11H,5,7-8,14H2,1-3H3,(H,15,16)/b6-4-,10-9-
InChIKeyAMKIQUYREKEHEY-DRBYQGIJSA-N
MW260.76 g/mol
LogP1.56
Rot. Bonds7

About 2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide

2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide (PubChem CID 142183516) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is 2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide
PubChem CID142183516
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC Name2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide
SMILESC/C=C\C(CNC(=O)C(N)COC)=C(\Cl)CC
InChIInChI=1S/C12H21ClN2O2/c1-4-6-9(10(13)5-2)7-15-12(16)11(14)8-17-3/h4,6,11H,5,7-8,14H2,1-3H3,(H,15,16)/b6-4-,10-9-
InChIKeyAMKIQUYREKEHEY-DRBYQGIJSA-N
XLogP1.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide
CID 144692966
(2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide
CID 87061145
(2R)-2-acetamido-N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide
CID 90261543
2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide
CID 123602723
2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide
CID 123745639
2-acetamido-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-methoxypropanamide
CID 123897249
2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide
CID 123913790
2-acetamido-N-(2-ethenylpenta-2,4-dienyl)-3-methoxypropanamide
CID 124010547
2-amino-N-[(2-chloro-5-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methoxypropanamide
CID 142183612
2-amino-3-methoxy-N-[(2-methylcyclohexa-1,5-dien-1-yl)methyl]propanamide
CID 142825303
2-acetamido-N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide;ethane
CID 144111443
2-amino-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide
CID 144230013

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide (CID 142183516) is 2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide is C/C=C\C(CNC(=O)C(N)COC)=C(\Cl)CC.
What is the InChIKey of 2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide?
The InChIKey is AMKIQUYREKEHEY-DRBYQGIJSA-N. The full InChI is InChI=1S/C12H21ClN2O2/c1-4-6-9(10(13)5-2)7-15-12(16)11(14)8-17-3/h4,6,11H,5,7-8,14H2,1-3H3,(H,15,16)/b6-4-,10-9-.
What are the key properties of 2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide?
2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide has a molecular weight of 260.76 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide is sourced from PubChem (CID 142183516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).