N-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide

C15H22ClNO3 — CID 118252008

IUPACN-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide
SMILESCOCCOc1cc(Cl)cc(CC(NC=O)C(C)C)c1
InChIInChI=1S/C15H22ClNO3/c1-11(2)15(17-10-18)8-12-6-13(16)9-14(7-12)20-5-4-19-3/h6-7,9-11,15H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyJYGWRXSIWZOECN-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.68
Rot. Bonds9

About N-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide

N-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide (PubChem CID 118252008) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide
PubChem CID118252008
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide
SMILESCOCCOc1cc(Cl)cc(CC(NC=O)C(C)C)c1
InChIInChI=1S/C15H22ClNO3/c1-11(2)15(17-10-18)8-12-6-13(16)9-14(7-12)20-5-4-19-3/h6-7,9-11,15H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyJYGWRXSIWZOECN-UHFFFAOYSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-one
CID 118514400
N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide
CID 118251690
1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene
CID 129135170
N-[1-[4-butanoyl-3-(3-methoxypropoxy)phenyl]-3-methylbutan-2-yl]formamide
CID 159401337
N-[1-[3-(3-methoxypropoxy)-4-(4,4,4-trifluorobutanoyl)phenyl]-3-methylbutan-2-yl]formamide
CID 138673063
1,3-bis(2-methoxyethoxy)-5-[[3-[[3-(2-methoxyethoxy)-5-(methoxymethoxy)phenyl]methoxy]-5-(2-methylpropyl)phenoxy]methyl]benzene
CID 134166680
N-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide
CID 169323286
1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene
CID 58531244
2-(3-chloro-5-ethylphenoxy)acetyl chloride
CID 166063564
6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide
CID 170208907
3,5-dichloro-N-[[4-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54796924
[1-[4-chloro-3-(3-methoxypropoxy)phenyl]-3-methylbutan-2-yl]urea
CID 123935421

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide?
The IUPAC name of N-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide (CID 118252008) is N-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide.
What is the SMILES notation for N-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide?
The canonical SMILES for N-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide is COCCOc1cc(Cl)cc(CC(NC=O)C(C)C)c1.
What is the InChIKey of N-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide?
The InChIKey is JYGWRXSIWZOECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-11(2)15(17-10-18)8-12-6-13(16)9-14(7-12)20-5-4-19-3/h6-7,9-11,15H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of N-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide?
N-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide has a molecular weight of 299.80 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide is sourced from PubChem (CID 118252008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).