N-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide

C18H22F2N4O3 — CID 162601924

IUPACN-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1cnc[nH]1)NCCNc1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C18H22F2N4O3/c19-18(20)27-15-4-3-13(7-16(15)26-10-12-1-2-12)22-5-6-23-17(25)8-14-9-21-11-24-14/h3-4,7,9,11-12,18,22H,1-2,5-6,8,10H2,(H,21,24)(H,23,25)
InChIKeyYALKWSNWTCLVNU-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.57
Rot. Bonds11

About N-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide

N-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide (PubChem CID 162601924) has the molecular formula C18H22F2N4O3 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide
PubChem CID162601924
Molecular FormulaC18H22F2N4O3
Molecular Weight380.40 g/mol
Exact Mass380.17
IUPAC NameN-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1cnc[nH]1)NCCNc1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C18H22F2N4O3/c19-18(20)27-15-4-3-13(7-16(15)26-10-12-1-2-12)22-5-6-23-17(25)8-14-9-21-11-24-14/h3-4,7,9,11-12,18,22H,1-2,5-6,8,10H2,(H,21,24)(H,23,25)
InChIKeyYALKWSNWTCLVNU-UHFFFAOYSA-N
XLogP2.57
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (2S,4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]pyrrolidine-2-carboxylate
CID 175911274
methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate
CID 175497729
sodium;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;hydroxide
CID 137440562
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide
CID 10473302
(3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide
CID 142869382
N-(3-chloro-5-iodo-4-pyridinyl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
CID 70344985
N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide
CID 169091031
tert-butyl (2R,4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 175911315
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] 3-(3,4-dimethoxyanilino)-3-oxopropanoate
CID 123930374
N-cyclopentyl-2-(1H-imidazol-5-yl)acetamide
CID 110684053
1-O-tert-butyl 2-O-methyl 4-[6-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazin-2-yl]-2,5-dihydropyrrole-1,2-dicarboxylate
CID 175911727
[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichlorooxy-4-pyridinyl)ethyl] 4-[2-(dimethylamino)ethylcarbamoylamino]benzoate
CID 118519504

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide (CID 162601924) is N-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide is O=C(Cc1cnc[nH]1)NCCNc1ccc(OC(F)F)c(OCC2CC2)c1.
What is the InChIKey of N-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is YALKWSNWTCLVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O3/c19-18(20)27-15-4-3-13(7-16(15)26-10-12-1-2-12)22-5-6-23-17(25)8-14-9-21-11-24-14/h3-4,7,9,11-12,18,22H,1-2,5-6,8,10H2,(H,21,24)(H,23,25).
What are the key properties of N-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide?
N-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 380.40 g/mol, XLogP of 2.57, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 162601924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).