3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride

C16H24Cl2N2O2 — CID 119777768

IUPAC3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCC1(c2ccccc2Cl)CCOCC1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-12(18)10-15(20)19-11-16(6-8-21-9-7-16)13-4-2-3-5-14(13)17;/h2-5,12H,6-11,18H2,1H3,(H,19,20);1H
InChIKeyYNMKMEQTMPOIBD-UHFFFAOYSA-N
MW347.29 g/mol
LogP2.66
Rot. Bonds5

About 3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride

3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride (PubChem CID 119777768) has the molecular formula C16H24Cl2N2O2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride
PubChem CID119777768
Molecular FormulaC16H24Cl2N2O2
Molecular Weight347.29 g/mol
Exact Mass346.12
IUPAC Name3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCC1(c2ccccc2Cl)CCOCC1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-12(18)10-15(20)19-11-16(6-8-21-9-7-16)13-4-2-3-5-14(13)17;/h2-5,12H,6-11,18H2,1H3,(H,19,20);1H
InChIKeyYNMKMEQTMPOIBD-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119320209
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120989233
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119777736
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120792510
ethyl (2R)-2-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]propanoate
CID 96549803
2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120993759
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111105530
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119320200
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride (CID 119777768) is 3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride is CC(N)CC(=O)NCC1(c2ccccc2Cl)CCOCC1.Cl.
What is the InChIKey of 3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride?
The InChIKey is YNMKMEQTMPOIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2.ClH/c1-12(18)10-15(20)19-11-16(6-8-21-9-7-16)13-4-2-3-5-14(13)17;/h2-5,12H,6-11,18H2,1H3,(H,19,20);1H.
What are the key properties of 3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride?
3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride has a molecular weight of 347.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119777768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).