tert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate

C16H34N2O3 — CID 165340175

IUPACtert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate
SMILESCNC(C(C)CCOC)C(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H34N2O3/c1-11(2)13(18-15(19)21-16(4,5)6)14(17-7)12(3)9-10-20-8/h11-14,17H,9-10H2,1-8H3,(H,18,19)
InChIKeyVLUPHOAHWOQOMM-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.80
Rot. Bonds8

About tert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate

tert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate (PubChem CID 165340175) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is tert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate
PubChem CID165340175
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Nametert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate
SMILESCNC(C(C)CCOC)C(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H34N2O3/c1-11(2)13(18-15(19)21-16(4,5)6)14(17-7)12(3)9-10-20-8/h11-14,17H,9-10H2,1-8H3,(H,18,19)
InChIKeyVLUPHOAHWOQOMM-UHFFFAOYSA-N
XLogP2.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate
CID 83350039
methyl (3S,4S)-3-hydroxy-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 10891099
tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
CID 23292073
(2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 130606798
tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 167208112
tert-butyl N-[(3S,4R)-4-hydroxy-2,7,7-trimethyl-6-oxooctan-3-yl]carbamate
CID 6917568
tert-butyl N-[(1R,2S,3S)-1-dimethoxyphosphoryl-1-hydroxy-3-methylpentan-2-yl]carbamate
CID 101252494
tert-butyl N-[1-(2-methoxyethylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 110407612
tert-butyl (3S)-2-hydroxy-4-methyl-3-(methylamino)pentanoate
CID 87855920
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(3S)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate
CID 11322160
tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate
CID 177407603

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate (CID 165340175) is tert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate is CNC(C(C)CCOC)C(NC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate?
The InChIKey is VLUPHOAHWOQOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-11(2)13(18-15(19)21-16(4,5)6)14(17-7)12(3)9-10-20-8/h11-14,17H,9-10H2,1-8H3,(H,18,19).
What are the key properties of tert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate?
tert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate has a molecular weight of 302.46 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate is sourced from PubChem (CID 165340175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).