N-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide

C19H26N2O3S — CID 169323286

IUPACN-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide
SMILESCOCCCOc1cc(CC(NC=O)C(C)C)ccc1-c1cscn1
InChIInChI=1S/C19H26N2O3S/c1-14(2)17(20-12-22)9-15-5-6-16(18-11-25-13-21-18)19(10-15)24-8-4-7-23-3/h5-6,10-14,17H,4,7-9H2,1-3H3,(H,20,22)
InChIKeySWODXYRTJOOQKJ-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.54
Rot. Bonds11

About N-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide

N-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide (PubChem CID 169323286) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide
PubChem CID169323286
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide
SMILESCOCCCOc1cc(CC(NC=O)C(C)C)ccc1-c1cscn1
InChIInChI=1S/C19H26N2O3S/c1-14(2)17(20-12-22)9-15-5-6-16(18-11-25-13-21-18)19(10-15)24-8-4-7-23-3/h5-6,10-14,17H,4,7-9H2,1-3H3,(H,20,22)
InChIKeySWODXYRTJOOQKJ-UHFFFAOYSA-N
XLogP3.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[1-[4-butanoyl-3-(3-methoxypropoxy)phenyl]-3-methylbutan-2-yl]formamide
CID 159401337
N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide
CID 118251690
N-[1-[3-(3-methoxypropoxy)-4-(4,4,4-trifluorobutanoyl)phenyl]-3-methylbutan-2-yl]formamide
CID 138673063
[4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid
CID 146473703
[1-[4-chloro-3-(3-methoxypropoxy)phenyl]-3-methylbutan-2-yl]urea
CID 123935421
[4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-5-methyl-1-oxohexan-2-yl]carbamic acid
CID 87503467
methyl (E,2S,7R)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnon-4-enoate
CID 53486195
[1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3,3-dimethylbutan-2-yl]urea
CID 123390795
4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene
CID 11325823
(R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 155758066
7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnon-4-enoic acid
CID 67991948
tert-butyl N-[(2S,4S)-4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-5-methyl-1-oxohexan-2-yl]carbamate
CID 11590225

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide?
The IUPAC name of N-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide (CID 169323286) is N-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide.
What is the SMILES notation for N-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide?
The canonical SMILES for N-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide is COCCCOc1cc(CC(NC=O)C(C)C)ccc1-c1cscn1.
What is the InChIKey of N-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide?
The InChIKey is SWODXYRTJOOQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-14(2)17(20-12-22)9-15-5-6-16(18-11-25-13-21-18)19(10-15)24-8-4-7-23-3/h5-6,10-14,17H,4,7-9H2,1-3H3,(H,20,22).
What are the key properties of N-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide?
N-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide has a molecular weight of 362.50 g/mol, XLogP of 3.54, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide is sourced from PubChem (CID 169323286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).