2-[[(3S)-2-oxoazepan-3-yl]amino]-N,N-bis(prop-2-enyl)acetamide

C14H23N3O2 — CID 50981848

IUPAC2-[[(3S)-2-oxoazepan-3-yl]amino]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN[C@H]1CCCCNC1=O
InChIInChI=1S/C14H23N3O2/c1-3-9-17(10-4-2)13(18)11-16-12-7-5-6-8-15-14(12)19/h3-4,12,16H,1-2,5-11H2,(H,15,19)/t12-/m0/s1
InChIKeyKBDJWYTUQDXOOW-LBPRGKRZSA-N
MW265.36 g/mol
LogP0.45
Rot. Bonds7

About 2-[[(3S)-2-oxoazepan-3-yl]amino]-N,N-bis(prop-2-enyl)acetamide

2-[[(3S)-2-oxoazepan-3-yl]amino]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 50981848) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[(3S)-2-oxoazepan-3-yl]amino]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[[(3S)-2-oxoazepan-3-yl]amino]-N,N-bis(prop-2-enyl)acetamide
PubChem CID50981848
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[[(3S)-2-oxoazepan-3-yl]amino]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN[C@H]1CCCCNC1=O
InChIInChI=1S/C14H23N3O2/c1-3-9-17(10-4-2)13(18)11-16-12-7-5-6-8-15-14(12)19/h3-4,12,16H,1-2,5-11H2,(H,15,19)/t12-/m0/s1
InChIKeyKBDJWYTUQDXOOW-LBPRGKRZSA-N
XLogP0.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-2-oxoazepan-3-yl]amino]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[[(3S)-2-oxoazepan-3-yl]amino]-N,N-bis(prop-2-enyl)acetamide (CID 50981848) is 2-[[(3S)-2-oxoazepan-3-yl]amino]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[[(3S)-2-oxoazepan-3-yl]amino]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[[(3S)-2-oxoazepan-3-yl]amino]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN[C@H]1CCCCNC1=O.
What is the InChIKey of 2-[[(3S)-2-oxoazepan-3-yl]amino]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is KBDJWYTUQDXOOW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-9-17(10-4-2)13(18)11-16-12-7-5-6-8-15-14(12)19/h3-4,12,16H,1-2,5-11H2,(H,15,19)/t12-/m0/s1.
What are the key properties of 2-[[(3S)-2-oxoazepan-3-yl]amino]-N,N-bis(prop-2-enyl)acetamide?
2-[[(3S)-2-oxoazepan-3-yl]amino]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-2-oxoazepan-3-yl]amino]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 50981848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).