[1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate

C17H28N2O3 — CID 174471009

IUPAC[1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate
SMILESCc1ccc(OCCCN(C)C)c(CC(C)(C)OC(N)=O)c1
InChIInChI=1S/C17H28N2O3/c1-13-7-8-15(21-10-6-9-19(4)5)14(11-13)12-17(2,3)22-16(18)20/h7-8,11H,6,9-10,12H2,1-5H3,(H2,18,20)
InChIKeyLNYMTPIEQMEWQD-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.74
Rot. Bonds8

About [1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate

[1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate (PubChem CID 174471009) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is [1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate
PubChem CID174471009
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name[1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate
SMILESCc1ccc(OCCCN(C)C)c(CC(C)(C)OC(N)=O)c1
InChIInChI=1S/C17H28N2O3/c1-13-7-8-15(21-10-6-9-19(4)5)14(11-13)12-17(2,3)22-16(18)20/h7-8,11H,6,9-10,12H2,1-5H3,(H2,18,20)
InChIKeyLNYMTPIEQMEWQD-UHFFFAOYSA-N
XLogP2.74
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate
CID 151911054
N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine
CID 170866592
4-[3-(dimethylamino)propoxy]-3-methylbenzoic acid
CID 62702605
2-(2-butoxy-5-methylphenyl)acetic acid
CID 82051975
2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2936004
2-(2-bromo-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2934581
3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63325860
1-butoxy-2-ethyl-4-methylbenzene
CID 20826275
methyl 4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butanoate
CID 63326685
N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine
CID 55204171
N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
CID 2183688
4-[3-(dimethylamino)propoxy]-3-methylbenzenecarboximidamide
CID 61103074

Frequently Asked Questions

What is the IUPAC name of [1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate (CID 174471009) is [1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate is Cc1ccc(OCCCN(C)C)c(CC(C)(C)OC(N)=O)c1.
What is the InChIKey of [1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is LNYMTPIEQMEWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13-7-8-15(21-10-6-9-19(4)5)14(11-13)12-17(2,3)22-16(18)20/h7-8,11H,6,9-10,12H2,1-5H3,(H2,18,20).
What are the key properties of [1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate?
[1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 308.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 174471009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).