N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide

C19H30ClNO3 — CID 100699464

IUPACN-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
SMILESCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1Cl
InChIInChI=1S/C19H30ClNO3/c1-7-24-17-9-8-15(10-16(17)20)21-18(22)19(23-6,11-13(2)3)12-14(4)5/h8-10,13-14H,7,11-12H2,1-6H3,(H,21,22)
InChIKeyTZRVDIKYSAXKSO-UHFFFAOYSA-N
MW355.91 g/mol
LogP5.15
Rot. Bonds9

About N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide

N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide (PubChem CID 100699464) has the molecular formula C19H30ClNO3 and a molecular weight of 355.91 g/mol. Its IUPAC name is N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide.

Molecular Properties

Compound NameN-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
PubChem CID100699464
Molecular FormulaC19H30ClNO3
Molecular Weight355.91 g/mol
Exact Mass355.19
IUPAC NameN-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
SMILESCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1Cl
InChIInChI=1S/C19H30ClNO3/c1-7-24-17-9-8-15(10-16(17)20)21-18(22)19(23-6,11-13(2)3)12-14(4)5/h8-10,13-14H,7,11-12H2,1-6H3,(H,21,22)
InChIKeyTZRVDIKYSAXKSO-UHFFFAOYSA-N
XLogP5.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.91
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696673
N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699402
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100724136
3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
CID 81489227
methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate
CID 100754429
(2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739354
2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 54862511
(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 61179599
2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride
CID 119715576
ethyl 2-ethoxy-5-[[4-methyl-2-(2-methylpropyl)-2-propoxypentanoyl]amino]benzoate
CID 100765542
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide
CID 54862584

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The IUPAC name of N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide (CID 100699464) is N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide.
What is the SMILES notation for N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The canonical SMILES for N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide is CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1Cl.
What is the InChIKey of N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The InChIKey is TZRVDIKYSAXKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClNO3/c1-7-24-17-9-8-15(10-16(17)20)21-18(22)19(23-6,11-13(2)3)12-14(4)5/h8-10,13-14H,7,11-12H2,1-6H3,(H,21,22).
What are the key properties of N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide has a molecular weight of 355.91 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide is sourced from PubChem (CID 100699464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).