(2S)-2-(1-benzylazepan-4-yl)oxy-N-ethyl-N-methylpropanamide

C19H30N2O2 — CID 129070179

IUPAC(2S)-2-(1-benzylazepan-4-yl)oxy-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)[C@H](C)OC1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H30N2O2/c1-4-20(3)19(22)16(2)23-18-11-8-13-21(14-12-18)15-17-9-6-5-7-10-17/h5-7,9-10,16,18H,4,8,11-15H2,1-3H3/t16-,18?/m0/s1
InChIKeySRWQCGPNNOPMRN-ATNAJCNCSA-N
MW318.46 g/mol
LogP2.92
Rot. Bonds6

About (2S)-2-(1-benzylazepan-4-yl)oxy-N-ethyl-N-methylpropanamide

(2S)-2-(1-benzylazepan-4-yl)oxy-N-ethyl-N-methylpropanamide (PubChem CID 129070179) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (2S)-2-(1-benzylazepan-4-yl)oxy-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-(1-benzylazepan-4-yl)oxy-N-ethyl-N-methylpropanamide
PubChem CID129070179
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(2S)-2-(1-benzylazepan-4-yl)oxy-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)[C@H](C)OC1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H30N2O2/c1-4-20(3)19(22)16(2)23-18-11-8-13-21(14-12-18)15-17-9-6-5-7-10-17/h5-7,9-10,16,18H,4,8,11-15H2,1-3H3/t16-,18?/m0/s1
InChIKeySRWQCGPNNOPMRN-ATNAJCNCSA-N
XLogP2.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-benzylazepan-4-yl)oxy-N-ethyl-N-methylpropanamide?
The IUPAC name of (2S)-2-(1-benzylazepan-4-yl)oxy-N-ethyl-N-methylpropanamide (CID 129070179) is (2S)-2-(1-benzylazepan-4-yl)oxy-N-ethyl-N-methylpropanamide.
What is the SMILES notation for (2S)-2-(1-benzylazepan-4-yl)oxy-N-ethyl-N-methylpropanamide?
The canonical SMILES for (2S)-2-(1-benzylazepan-4-yl)oxy-N-ethyl-N-methylpropanamide is CCN(C)C(=O)[C@H](C)OC1CCCN(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-(1-benzylazepan-4-yl)oxy-N-ethyl-N-methylpropanamide?
The InChIKey is SRWQCGPNNOPMRN-ATNAJCNCSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-20(3)19(22)16(2)23-18-11-8-13-21(14-12-18)15-17-9-6-5-7-10-17/h5-7,9-10,16,18H,4,8,11-15H2,1-3H3/t16-,18?/m0/s1.
What are the key properties of (2S)-2-(1-benzylazepan-4-yl)oxy-N-ethyl-N-methylpropanamide?
(2S)-2-(1-benzylazepan-4-yl)oxy-N-ethyl-N-methylpropanamide has a molecular weight of 318.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-benzylazepan-4-yl)oxy-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 129070179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).