N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide

C17H24ClNO4 — CID 100703459

IUPACN-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide
SMILESCOC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCCC2)cc1Cl
InChIInChI=1S/C17H24ClNO4/c1-12(11-21-2)23-15-7-6-13(10-14(15)18)19-16(20)17(22-3)8-4-5-9-17/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,20)/t12-/m0/s1
InChIKeyUSYZSPLUNNJTHZ-LBPRGKRZSA-N
MW341.84 g/mol
LogP3.65
Rot. Bonds7

About N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide

N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide (PubChem CID 100703459) has the molecular formula C17H24ClNO4 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide
PubChem CID100703459
Molecular FormulaC17H24ClNO4
Molecular Weight341.84 g/mol
Exact Mass341.14
IUPAC NameN-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide
SMILESCOC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCCC2)cc1Cl
InChIInChI=1S/C17H24ClNO4/c1-12(11-21-2)23-15-7-6-13(10-14(15)18)19-16(20)17(22-3)8-4-5-9-17/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,20)/t12-/m0/s1
InChIKeyUSYZSPLUNNJTHZ-LBPRGKRZSA-N
XLogP3.65
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100708558
cis-(1R,3R)-N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733808
trans-(1R,3S)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 125061366
N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 133245802
N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-4-(2,4-dichlorophenyl)oxane-4-carboxamide
CID 100686861
N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(2,4-dichlorophenyl)oxane-4-carboxamide
CID 133245793
N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-4-(3-methylphenyl)oxane-4-carboxamide
CID 100681443
trans-(1R,3S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707699
ethyl 2-[(2S)-butan-2-yl]oxy-5-[(1-methoxycyclohexanecarbonyl)amino]benzoate
CID 100756258
N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-4-(4-nitrophenyl)oxane-4-carboxamide
CID 100680482
N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699402
1-amino-N-(3-chloro-4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 60852453

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide?
The IUPAC name of N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide (CID 100703459) is N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide is COC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCCC2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide?
The InChIKey is USYZSPLUNNJTHZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24ClNO4/c1-12(11-21-2)23-15-7-6-13(10-14(15)18)19-16(20)17(22-3)8-4-5-9-17/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,20)/t12-/m0/s1.
What are the key properties of N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide?
N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide is sourced from PubChem (CID 100703459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).