N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide

C21H34ClNO4 — CID 100699402

IUPACN-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
SMILESCOC[C@@H](C)Oc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1Cl
InChIInChI=1S/C21H34ClNO4/c1-14(2)11-21(26-7,12-15(3)4)20(24)23-17-8-9-19(18(22)10-17)27-16(5)13-25-6/h8-10,14-16H,11-13H2,1-7H3,(H,23,24)/t16-/m1/s1
InChIKeyXHQRZWQOBFORQN-MRXNPFEDSA-N
MW399.96 g/mol
LogP5.17
Rot. Bonds11

About N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide

N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide (PubChem CID 100699402) has the molecular formula C21H34ClNO4 and a molecular weight of 399.96 g/mol. Its IUPAC name is N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
PubChem CID100699402
Molecular FormulaC21H34ClNO4
Molecular Weight399.96 g/mol
Exact Mass399.22
IUPAC NameN-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
SMILESCOC[C@@H](C)Oc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1Cl
InChIInChI=1S/C21H34ClNO4/c1-14(2)11-21(26-7,12-15(3)4)20(24)23-17-8-9-19(18(22)10-17)27-16(5)13-25-6/h8-10,14-16H,11-13H2,1-7H3,(H,23,24)/t16-/m1/s1
InChIKeyXHQRZWQOBFORQN-MRXNPFEDSA-N
XLogP5.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.96
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699464
(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739322
(2S)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide
CID 100701068
(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide
CID 100701055
(2S)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-ethoxy-2-methylbutanamide
CID 100722732
methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate
CID 100754429
N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
CID 133246493
N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide
CID 100703459
(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696673
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100724136
N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100708558
(2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739354

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The IUPAC name of N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide (CID 100699402) is N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide.
What is the SMILES notation for N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The canonical SMILES for N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide is COC[C@@H](C)Oc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The InChIKey is XHQRZWQOBFORQN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H34ClNO4/c1-14(2)11-21(26-7,12-15(3)4)20(24)23-17-8-9-19(18(22)10-17)27-16(5)13-25-6/h8-10,14-16H,11-13H2,1-7H3,(H,23,24)/t16-/m1/s1.
What are the key properties of N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide has a molecular weight of 399.96 g/mol, XLogP of 5.17, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide is sourced from PubChem (CID 100699402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).