phenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate

C21H24N2O3 — CID 154880998

IUPACphenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate
SMILESCN(C(=O)Oc1ccccc1)c1ccc(OCC2CN2CC2CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-22(21(24)26-20-5-3-2-4-6-20)17-9-11-19(12-10-17)25-15-18-14-23(18)13-16-7-8-16/h2-6,9-12,16,18H,7-8,13-15H2,1H3
InChIKeyNHXQWXQRFKEPDI-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.79
Rot. Bonds7

About phenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate

phenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate (PubChem CID 154880998) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is phenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate
PubChem CID154880998
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Namephenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate
SMILESCN(C(=O)Oc1ccccc1)c1ccc(OCC2CN2CC2CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-22(21(24)26-20-5-3-2-4-6-20)17-9-11-19(12-10-17)25-15-18-14-23(18)13-16-7-8-16/h2-6,9-12,16,18H,7-8,13-15H2,1H3
InChIKeyNHXQWXQRFKEPDI-UHFFFAOYSA-N
XLogP3.79
TPSA41.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate
CID 75384450
3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid
CID 129307503
N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide
CID 86972191
methyl 2-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-2-methylpropanoate
CID 154880807
(4-ethylphenyl) N-methyl-N-phenylcarbamate
CID 91395090
[4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate
CID 91520177
phenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate
CID 71907384
2-(cyclopropylmethylamino)-N-methyl-N-phenylacetamide
CID 60842442
3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenoxy]pyridine
CID 154881059
[4-(cyclopropylmethoxy)phenyl] acetate
CID 91264469
cyclopropylmethoxybenzene
CID 12712156
7-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 154881006

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate?
The IUPAC name of phenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate (CID 154880998) is phenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate.
What is the SMILES notation for phenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate?
The canonical SMILES for phenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate is CN(C(=O)Oc1ccccc1)c1ccc(OCC2CN2CC2CC2)cc1.
What is the InChIKey of phenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate?
The InChIKey is NHXQWXQRFKEPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-22(21(24)26-20-5-3-2-4-6-20)17-9-11-19(12-10-17)25-15-18-14-23(18)13-16-7-8-16/h2-6,9-12,16,18H,7-8,13-15H2,1H3.
What are the key properties of phenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate?
phenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate has a molecular weight of 352.43 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate is sourced from PubChem (CID 154880998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).