1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea

C8H19N3O2 — CID 106153654

IUPAC1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea
SMILESCCNC(=O)NC(CCN)COC
InChIInChI=1S/C8H19N3O2/c1-3-10-8(12)11-7(4-5-9)6-13-2/h7H,3-6,9H2,1-2H3,(H2,10,11,12)
InChIKeyWVHGCNMFTHPIFT-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.33
Rot. Bonds6

About 1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea

1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea (PubChem CID 106153654) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea.

Molecular Properties

Compound Name1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea
PubChem CID106153654
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea
SMILESCCNC(=O)NC(CCN)COC
InChIInChI=1S/C8H19N3O2/c1-3-10-8(12)11-7(4-5-9)6-13-2/h7H,3-6,9H2,1-2H3,(H2,10,11,12)
InChIKeyWVHGCNMFTHPIFT-UHFFFAOYSA-N
XLogP-0.33
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea
CID 106153652
1-(1-methoxypentan-2-yl)-3-propylurea
CID 116656269
N-(4-amino-1-methoxybutan-2-yl)-4-methoxy-3-methylbutanamide
CID 106152366
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
1-(4-amino-1-methoxybutan-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 106153716
N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide
CID 114150708
methyl 2-(ethylcarbamoylamino)propanoate
CID 60980356
N-(4-amino-1-methoxybutan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 106152212
N-(4-amino-1-methoxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 114150665
1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea
CID 111506608
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
ethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane
CID 178008205

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea?
The IUPAC name of 1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea (CID 106153654) is 1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea.
What is the SMILES notation for 1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea?
The canonical SMILES for 1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea is CCNC(=O)NC(CCN)COC.
What is the InChIKey of 1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea?
The InChIKey is WVHGCNMFTHPIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-3-10-8(12)11-7(4-5-9)6-13-2/h7H,3-6,9H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea?
1-(4-amino-1-methoxybutan-2-yl)-3-ethylurea has a molecular weight of 189.26 g/mol, XLogP of -0.33, 6 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-ethylurea is sourced from PubChem (CID 106153654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).