N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide

C19H28ClNO4 — CID 133246493

IUPACN-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
SMILESCCCOC(C)(C(=O)Nc1ccc(OC(C)COC)c(Cl)c1)C1CC1
InChIInChI=1S/C19H28ClNO4/c1-5-10-24-19(3,14-6-7-14)18(22)21-15-8-9-17(16(20)11-15)25-13(2)12-23-4/h8-9,11,13-14H,5-7,10,12H2,1-4H3,(H,21,22)
InChIKeyMOKYKKFRRJNELL-UHFFFAOYSA-N
MW369.89 g/mol
LogP4.29
Rot. Bonds10

About N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide

N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide (PubChem CID 133246493) has the molecular formula C19H28ClNO4 and a molecular weight of 369.89 g/mol. Its IUPAC name is N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
PubChem CID133246493
Molecular FormulaC19H28ClNO4
Molecular Weight369.89 g/mol
Exact Mass369.17
IUPAC NameN-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
SMILESCCCOC(C)(C(=O)Nc1ccc(OC(C)COC)c(Cl)c1)C1CC1
InChIInChI=1S/C19H28ClNO4/c1-5-10-24-19(3,14-6-7-14)18(22)21-15-8-9-17(16(20)11-15)25-13(2)12-23-4/h8-9,11,13-14H,5-7,10,12H2,1-4H3,(H,21,22)
InChIKeyMOKYKKFRRJNELL-UHFFFAOYSA-N
XLogP4.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100718617
(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-ethoxy-2-methylbutanamide
CID 100722732
(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-methoxy-2-methylhexanamide
CID 100701068
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 100709951
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104
N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699402
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
CID 133205492
N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205487
N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205489
ethyl 5-[[(2S)-2-cyclopropyl-2-propoxypropanoyl]amino]-2-propoxybenzoate
CID 100768779

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide?
The IUPAC name of N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide (CID 133246493) is N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide.
What is the SMILES notation for N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide?
The canonical SMILES for N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide is CCCOC(C)(C(=O)Nc1ccc(OC(C)COC)c(Cl)c1)C1CC1.
What is the InChIKey of N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide?
The InChIKey is MOKYKKFRRJNELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClNO4/c1-5-10-24-19(3,14-6-7-14)18(22)21-15-8-9-17(16(20)11-15)25-13(2)12-23-4/h8-9,11,13-14H,5-7,10,12H2,1-4H3,(H,21,22).
What are the key properties of N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide?
N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide has a molecular weight of 369.89 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide is sourced from PubChem (CID 133246493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).