(5-ethyl-3-methylheptan-3-yl)urea

C11H24N2O — CID 155063510

IUPAC(5-ethyl-3-methylheptan-3-yl)urea
SMILESCCC(CC)CC(C)(CC)NC(N)=O
InChIInChI=1S/C11H24N2O/c1-5-9(6-2)8-11(4,7-3)13-10(12)14/h9H,5-8H2,1-4H3,(H3,12,13,14)
InChIKeyURPAZHZSVRBNPF-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.65
Rot. Bonds6

About (5-ethyl-3-methylheptan-3-yl)urea

(5-ethyl-3-methylheptan-3-yl)urea (PubChem CID 155063510) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (5-ethyl-3-methylheptan-3-yl)urea.

Molecular Properties

Compound Name(5-ethyl-3-methylheptan-3-yl)urea
PubChem CID155063510
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(5-ethyl-3-methylheptan-3-yl)urea
SMILESCCC(CC)CC(C)(CC)NC(N)=O
InChIInChI=1S/C11H24N2O/c1-5-9(6-2)8-11(4,7-3)13-10(12)14/h9H,5-8H2,1-4H3,(H3,12,13,14)
InChIKeyURPAZHZSVRBNPF-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(3-methylpentan-3-yl)butanamide
CID 103796916
(2S)-2-amino-N-(3-methylpentan-3-yl)pentanamide
CID 106328652
2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
CID 175042752
[5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate
CID 154076634
4-amino-2-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328547
2-amino-N-(3-methylpentan-3-yl)pentanamide;hydrochloride
CID 119324973
(3S)-3-amino-5-ethyl-3-methylheptanoic acid
CID 87761055
2-bromo-N-(3-methylpentan-3-yl)butanamide
CID 106328360
3-(aminomethyl)pentan-3-ylurea
CID 63766558
2-amino-3-methoxy-N-(3-methylpentan-3-yl)propanamide
CID 106328510
1,1-dihydroxyethylurea
CID 54031376
(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328618

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3-methylheptan-3-yl)urea?
The IUPAC name of (5-ethyl-3-methylheptan-3-yl)urea (CID 155063510) is (5-ethyl-3-methylheptan-3-yl)urea.
What is the SMILES notation for (5-ethyl-3-methylheptan-3-yl)urea?
The canonical SMILES for (5-ethyl-3-methylheptan-3-yl)urea is CCC(CC)CC(C)(CC)NC(N)=O.
What is the InChIKey of (5-ethyl-3-methylheptan-3-yl)urea?
The InChIKey is URPAZHZSVRBNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-9(6-2)8-11(4,7-3)13-10(12)14/h9H,5-8H2,1-4H3,(H3,12,13,14).
What are the key properties of (5-ethyl-3-methylheptan-3-yl)urea?
(5-ethyl-3-methylheptan-3-yl)urea has a molecular weight of 200.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3-methylheptan-3-yl)urea is sourced from PubChem (CID 155063510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).