1-tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea

C14H29N3O3 — CID 59831587

IUPAC1-tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea
SMILESCN(C)C(=O)N(CCN1CCOCC1CO)C(C)(C)C
InChIInChI=1S/C14H29N3O3/c1-14(2,3)17(13(19)15(4)5)7-6-16-8-9-20-11-12(16)10-18/h12,18H,6-11H2,1-5H3
InChIKeyJZTKSVYXWNFONL-UHFFFAOYSA-N
MW287.40 g/mol
LogP0.46
Rot. Bonds4

About 1-tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea

1-tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea (PubChem CID 59831587) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea.

Molecular Properties

Compound Name1-tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea
PubChem CID59831587
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name1-tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea
SMILESCN(C)C(=O)N(CCN1CCOCC1CO)C(C)(C)C
InChIInChI=1S/C14H29N3O3/c1-14(2,3)17(13(19)15(4)5)7-6-16-8-9-20-11-12(16)10-18/h12,18H,6-11H2,1-5H3
InChIKeyJZTKSVYXWNFONL-UHFFFAOYSA-N
XLogP0.46
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-ditert-butylmorpholine-4-carboxamide
CID 59614220
methyl N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]carbamate
CID 59831576
N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide
CID 59831599
N-tert-butyl-N-ethylmorpholine-4-carboxamide
CID 70959313
N-(2-hydroxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide
CID 124199542
N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 124199802
4-tert-butyl-N-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
CID 126752811
4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide
CID 126752812
N-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide
CID 126752817
N,N-bis(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 126752819
N-tert-butyl-N-methylmorpholine-4-carboxamide
CID 131160993
N-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide
CID 135193446

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea?
The IUPAC name of 1-tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea (CID 59831587) is 1-tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea.
What is the SMILES notation for 1-tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea?
The canonical SMILES for 1-tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea is CN(C)C(=O)N(CCN1CCOCC1CO)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea?
The InChIKey is JZTKSVYXWNFONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-14(2,3)17(13(19)15(4)5)7-6-16-8-9-20-11-12(16)10-18/h12,18H,6-11H2,1-5H3.
What are the key properties of 1-tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea?
1-tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea has a molecular weight of 287.40 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea is sourced from PubChem (CID 59831587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).