[4,4-dimethyl-3-[methyl(2-phenylmethoxyethyl)amino]pentyl] carbamate

C18H30N2O3 — CID 177255639

IUPAC[4,4-dimethyl-3-[methyl(2-phenylmethoxyethyl)amino]pentyl] carbamate
SMILESCN(CCOCc1ccccc1)C(CCOC(N)=O)C(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-18(2,3)16(10-12-23-17(19)21)20(4)11-13-22-14-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3,(H2,19,21)
InChIKeyUTHFCEMLAVKKQW-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.04
Rot. Bonds9

About [4,4-dimethyl-3-[methyl(2-phenylmethoxyethyl)amino]pentyl] carbamate

[4,4-dimethyl-3-[methyl(2-phenylmethoxyethyl)amino]pentyl] carbamate (PubChem CID 177255639) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is [4,4-dimethyl-3-[methyl(2-phenylmethoxyethyl)amino]pentyl] carbamate.

Molecular Properties

Compound Name[4,4-dimethyl-3-[methyl(2-phenylmethoxyethyl)amino]pentyl] carbamate
PubChem CID177255639
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name[4,4-dimethyl-3-[methyl(2-phenylmethoxyethyl)amino]pentyl] carbamate
SMILESCN(CCOCc1ccccc1)C(CCOC(N)=O)C(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-18(2,3)16(10-12-23-17(19)21)20(4)11-13-22-14-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3,(H2,19,21)
InChIKeyUTHFCEMLAVKKQW-UHFFFAOYSA-N
XLogP3.04
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.04
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

2-[methyl(2-phenylmethoxyethyl)amino]propanamide
CID 130767373
3-N-methyl-3-N-(2-phenylmethoxyethyl)butane-1,3-diamine
CID 130536772
tert-butyl N-[3-amino-2-[methyl(2-phenylmethoxyethyl)amino]propyl]carbamate
CID 131008134
3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide
CID 142666314
4-(2-phenylmethoxyethoxy)pentyl carbamate
CID 175093685
N,2-dimethyl-N-(2-phenylmethoxyethyl)propan-2-amine
CID 23381577
2-amino-N-methyl-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 119345164
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylmethoxyethyl)amino]ethyl]-N-(2-phenylmethoxyethyl)carbamate
CID 140972219
3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride
CID 119821461
phenylmethoxy(2-phenylmethoxyethyl)carbamic acid
CID 142651909
3,3-dimethyl-2-(2-phenylmethoxyethoxy)butanoic acid
CID 67216614
3,3-dimethyl-2-phenylmethoxycarbonylbutanoic acid
CID 22111780

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-3-[methyl(2-phenylmethoxyethyl)amino]pentyl] carbamate?
The IUPAC name of [4,4-dimethyl-3-[methyl(2-phenylmethoxyethyl)amino]pentyl] carbamate (CID 177255639) is [4,4-dimethyl-3-[methyl(2-phenylmethoxyethyl)amino]pentyl] carbamate.
What is the SMILES notation for [4,4-dimethyl-3-[methyl(2-phenylmethoxyethyl)amino]pentyl] carbamate?
The canonical SMILES for [4,4-dimethyl-3-[methyl(2-phenylmethoxyethyl)amino]pentyl] carbamate is CN(CCOCc1ccccc1)C(CCOC(N)=O)C(C)(C)C.
What is the InChIKey of [4,4-dimethyl-3-[methyl(2-phenylmethoxyethyl)amino]pentyl] carbamate?
The InChIKey is UTHFCEMLAVKKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-18(2,3)16(10-12-23-17(19)21)20(4)11-13-22-14-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3,(H2,19,21).
What are the key properties of [4,4-dimethyl-3-[methyl(2-phenylmethoxyethyl)amino]pentyl] carbamate?
[4,4-dimethyl-3-[methyl(2-phenylmethoxyethyl)amino]pentyl] carbamate has a molecular weight of 322.45 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-3-[methyl(2-phenylmethoxyethyl)amino]pentyl] carbamate is sourced from PubChem (CID 177255639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).