tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate

C14H29N3O4 — CID 103390858

IUPACtert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate
SMILESCOCCNC(=O)C(C)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H29N3O4/c1-10(9-16-13(19)21-14(3,4)5)17-11(2)12(18)15-7-8-20-6/h10-11,17H,7-9H2,1-6H3,(H,15,18)(H,16,19)
InChIKeyCQXGEFVOCHNZCK-UHFFFAOYSA-N
MW303.40 g/mol
LogP0.64
Rot. Bonds8

About tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate

tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate (PubChem CID 103390858) has the molecular formula C14H29N3O4 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate
PubChem CID103390858
Molecular FormulaC14H29N3O4
Molecular Weight303.40 g/mol
Exact Mass303.22
IUPAC Nametert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate
SMILESCOCCNC(=O)C(C)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H29N3O4/c1-10(9-16-13(19)21-14(3,4)5)17-11(2)12(18)15-7-8-20-6/h10-11,17H,7-9H2,1-6H3,(H,15,18)(H,16,19)
InChIKeyCQXGEFVOCHNZCK-UHFFFAOYSA-N
XLogP0.64
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390878
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782952
tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate
CID 103390810
tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate
CID 167219816
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate
CID 103388232
tert-butyl N-[1-(2-methoxyethylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 110407612
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate
CID 103390957

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate (CID 103390858) is tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate is COCCNC(=O)C(C)NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate?
The InChIKey is CQXGEFVOCHNZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4/c1-10(9-16-13(19)21-14(3,4)5)17-11(2)12(18)15-7-8-20-6/h10-11,17H,7-9H2,1-6H3,(H,15,18)(H,16,19).
What are the key properties of tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate?
tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate has a molecular weight of 303.40 g/mol, XLogP of 0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate is sourced from PubChem (CID 103390858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).