1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea

C10H23N3O2 — CID 106153652

IUPAC1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea
SMILESCOCC(CCN)NC(=O)NC(C)(C)C
InChIInChI=1S/C10H23N3O2/c1-10(2,3)13-9(14)12-8(5-6-11)7-15-4/h8H,5-7,11H2,1-4H3,(H2,12,13,14)
InChIKeyVRYGWLVUEFRNTF-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.45
Rot. Bonds5

About 1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea

1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea (PubChem CID 106153652) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea.

Molecular Properties

Compound Name1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea
PubChem CID106153652
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea
SMILESCOCC(CCN)NC(=O)NC(C)(C)C
InChIInChI=1S/C10H23N3O2/c1-10(2,3)13-9(14)12-8(5-6-11)7-15-4/h8H,5-7,11H2,1-4H3,(H2,12,13,14)
InChIKeyVRYGWLVUEFRNTF-UHFFFAOYSA-N
XLogP0.45
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea
CID 106153654
N-(4-amino-1-methoxybutan-2-yl)-4-methoxy-3-methylbutanamide
CID 106152366
1-(4-amino-1-methoxybutan-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 106153716
N-(4-amino-1-methoxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 114150665
N-(4-amino-1-methoxybutan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 106152212
methyl (2S)-2-(tert-butylcarbamoylamino)-3-hydroxypropanoate
CID 54449855
2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbutanamide
CID 106160983
4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide
CID 106188734
(2S)-2-amino-N-tert-butyl-3-methoxypropanamide
CID 164800240
2-amino-2-ethyl-N-(1-methoxypentan-2-yl)butanamide
CID 79813031
(4-amino-2-hydroxybutyl) N-tert-butylcarbamate
CID 175489678
N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 106152498

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea?
The IUPAC name of 1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea (CID 106153652) is 1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea.
What is the SMILES notation for 1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea?
The canonical SMILES for 1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea is COCC(CCN)NC(=O)NC(C)(C)C.
What is the InChIKey of 1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea?
The InChIKey is VRYGWLVUEFRNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-10(2,3)13-9(14)12-8(5-6-11)7-15-4/h8H,5-7,11H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea?
1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea has a molecular weight of 217.31 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea is sourced from PubChem (CID 106153652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).